BioLiP

PDB

BioLiP

PDB CCD ID:

NZO

Number of entries in BioLiP:

Chemical formula:

C14 H11 N3 O3 S

InChI:

InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)

InChIKey:

KYRVNWMVYQXFEU-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(c2cc1c(nc(NC(=O)OC)n1)cc2)c3sccc3
OpenEye OEToolkits 1.5.0	COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3
CACTVS 3.341	COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3sccc3

Name:

nocodazole;
methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate

ChEMBL:

CHEMBL9514

DrugBank:

DB08313

ZINC:

ZINC000000056509

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).