BioLiP

PDB

BioLiP

PDB CCD ID:

SNR

Number of entries in BioLiP:

Chemical formula:

C9 H14 N2 O3 S

InChI:

InChI=1S/C9H14N2O3S/c12-7(13)3-1-2-6-8-5(4-15-6)10-9(14)11-8/h5-6,8H,1-4H2,(H,12,13)(H2,10,11,14)/t5-,6-,8-/m0/s1

InChIKey:

AINAXQHKYSZESH-HAFWLYHUSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)CCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
OpenEye OEToolkits 1.5.0	C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=O)N2
OpenEye OEToolkits 1.5.0	C1C2C(C(S1)CCCC(=O)O)NC(=O)N2
CACTVS 3.341	OC(=O)CCC[CH]1SC[CH]2NC(=O)N[CH]12
ACDLabs 10.04	O=C1NC2C(SCC2N1)CCCC(=O)O

Name:

NORBIOTIN;
4-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-BUTYRIC ACID

DrugBank:

DB02674

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).