BioLiP

PDB

BioLiP

PDB CCD ID:

FMB

Number of entries in BioLiP:

Chemical formula:

C10 H12 N4 O5

InChI:

InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1

InChIKey:

MTCJZZBQNCXKAP-KSYZLYKTSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1=Nc2c(n[nH]c2C(=O)N1)C3C(C(C(O3)CO)O)O
CACTVS 3.341	OC[CH]1O[CH]([CH](O)[CH]1O)c2n[nH]c3C(=O)NC=Nc23
ACDLabs 10.04	O=C1NC=Nc2c1nnc2C3OC(CO)C(O)C3O
CACTVS 3.341	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c2n[nH]c3C(=O)NC=Nc23
OpenEye OEToolkits 1.5.0	C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

Name:

FORMYCIN B

ChEMBL:

CHEMBL1232777

DrugBank:

DB04198

ZINC:

ZINC000008577182

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).