SeMPI 2.0

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	Cluster	Block	Type	DB screening	Cluster browser	Domains	Modify scaffold	Specificity	Smiles	Postsynthetic modifications
	5	1	pks-nrps	Show	Open	Show	Scaffold Input	methylmalonyl * malonyl * malonyl * ethylmalonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * pip * malonyl * methylmalonyl * methylmalonyl * malonyl * ethylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * malonyl * malonyl * methylmalonyl * malonyl	C(=O)N1[C@H](CCC1)C(=O)CC(O)C(C)C=C(C)C(O)CC=C(CC)C(O)C(C)CC(C)C=C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CCC(C)C=CC=C(C)C(=O)CC(O)CCC(CC)C=CCC(C)C(=O)C(C)C=C	Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0
Smiles C(=O)N1[C@H](CCC1)C(=O)CC(O)C(C)C=C(C)C(O)CC=C(CC)C(O)C(C)CC(C)C=C(C)C(O)CC(O)CC(O)C(C)C(O)CC(O)CCC(C)C=CC=C(C)C(=O)CC(O)CCC(CC)C=CCC(C)C(=O)C(C)C=C Postsynthetic modifications Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 Figure
	17	1	nrps-pks	Show	Open	Show	Scaffold Input	dhb * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl	Oc1c(O)c(ccc1)C(O)CC(O)CC(O)CC(O)CC=CC(O)CC=CC(O)CC=CC(O)C(C)C(O)CC=CC=CC=CC=CC(O)C(C)C(O)C(C)C=CCCC=CC=CC=C(C)C(=O)O	Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0
Smiles Oc1c(O)c(ccc1)C(O)CC(O)CC(O)CC(O)CC=CC(O)CC=CC(O)CC=CC(O)C(C)C(O)CC=CC=CC=CC=CC(O)C(C)C(O)C(C)C=CCCC=CC=CC=C(C)C(=O)O Postsynthetic modifications Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 Figure
	40	1	pks-nrps	Show	Open	Show	Scaffold Input	methylmalonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * F	CCC(=O)N[C@H](Cc1ccccc1)C=C(C)C(O)C(C)C=CC=C(C)C(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)C(C)CCC(O)C(C)C(O)CC(O)C(C)C=CC=C(C)C(=O)O	Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0
Smiles CCC(=O)N[C@H](Cc1ccccc1)C=C(C)C(O)C(C)C=CC=C(C)C(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)C(C)CCC(O)C(C)C(O)CC(O)C(C)C=CC=C(C)C(=O)O Postsynthetic modifications Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:1 * Sphingo:0 * 5-Ring:0 Figure
	39	1	pks	Show	Open	Show	Scaffold Input	malonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * malonyl * malonyl * methylmalonyl * methylmalonyl * malonyl	CC(=O)C(C)CC(C)C=CCC(C)C=C(C)CCC=C(C)CC(C)C(O)C(C)C(O)CC(O)CC(O)CCC(C)C=C(C)C(O)C	Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:3 * Sphingo:0 * 5-Ring:3
Smiles CC(=O)C(C)CC(C)C=CCC(C)C=C(C)CCC=C(C)CC(C)C(O)C(C)C(O)CC(O)CC(O)CCC(C)C=C(C)C(O)C Postsynthetic modifications Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:3 * Sphingo:0 * 5-Ring:3 Figure
	11	2	nrps-pks	Show	Open	Show	Scaffold Input	F * F * methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * ethylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl	N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C=C(C)C(=O)CC(O)C(CC)CC(C)CC(C)C=C(C)C=C(C)C=C(C)CCCC(C)C=C(C)C=C(C)C=CC(=O)O	Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0
Smiles N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C=C(C)C(=O)CC(O)C(CC)CC(C)CC(C)C=C(C)C=C(C)C=C(C)CCCC(C)C=C(C)C=C(C)C=CC(=O)O Postsynthetic modifications Glyco:3 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 Figure
	3	2	pks	Show	Open	Show	Scaffold Input	methylmalonyl * malonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl	C(C)C(O)CC(=O)C(C)CC(C)C(O)C(C)C(O)CC=C(C)C(O)CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O	Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0
Smiles C(C)C(O)CC(=O)C(C)CC(C)C(O)C(C)C(O)CC=C(C)C(O)CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O Postsynthetic modifications Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 Figure
	43	1	pks-nrps	Show	Open	Show	Scaffold Input	malonyl * methylmalonyl * methylmalonyl * methylmalonyl * methylmalonyl * malonyl * T * F * dhb * hpg * V * S	CC=C(C)C(O)C(C)CC(C)CC(C)C(O)CC(=O)N[C@H](C(O)C)C(=O)N[C@H](Cc1ccccc1)C(=O)Oc1c(O)c(ccc1)C(=O)N[C@H](CNc1ccc(O)cc1)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CO)C(=O)O	Glyco:0 * NO2:0 * Cl:2 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0
Smiles CC=C(C)C(O)C(C)CC(C)CC(C)C(O)CC(=O)N[C@H](C(O)C)C(=O)N[C@H](Cc1ccccc1)C(=O)Oc1c(O)c(ccc1)C(=O)N[C@H](CNc1ccc(O)cc1)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CO)C(=O)O Postsynthetic modifications Glyco:0 * NO2:0 * Cl:2 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 Figure
	48	2	nrps-pks	Show	Open	Show	Scaffold Input	pip * methylmalonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * methylmalonyl * malonyl * malonyl * malonyl * P * F	C(=O)N[C@H](C1CCCN1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1[C@H](CCC1)CC(C)C=C(C)C=CCC(C)C(=O)CCC(C)C=CC=CC=C	Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0
Smiles C(=O)N[C@H](C1CCCN1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1[C@H](CCC1)CC(C)C=C(C)C=CCC(C)C(=O)CCC(C)C=CC=CC=C Postsynthetic modifications Glyco:0 * NO2:0 * Cl:0 * SS:0 * 6-Ring:0 * Sphingo:0 * 5-Ring:0 Figure
	41	1	nrps	Show	Open	Show	Scaffold Input	D * D * dhb * pip * G * D * G * D * G * T * V * P	N[C@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)Oc1c(O)c(ccc1)C(=O)N1[C@@H](CCC1)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C(O)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](C1CCCN1)C(=O)O	None
Smiles N[C@H](CC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)Oc1c(O)c(ccc1)C(=O)N1[C@@H](CCC1)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C(O)C)C(=O)N[C@H](C(C)C)C(=O)N[C@H](C1CCCN1)C(=O)O Postsynthetic modifications None Figure
	2	1	nrps	Show	Open	Show	Scaffold Input	L * A * V * A * L * orn * T * orn * V * L	N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(O)C)C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C)	None
Smiles N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(O)C)C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CC(C)C) Postsynthetic modifications None Figure

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Record: NZ_CP023992.1

Comment: NZ_CP023992.1 Streptomyces malaysiensis strain DSM 4137 chromosome, complete genome

Change record: 0 1