BioLiP

PDB

BioLiP

PDB CCD ID:

EVW

Number of entries in BioLiP:

Chemical formula:

C21 H17 N3 O S

InChI:

InChI=1S/C21H17N3OS/c22-21-23-17-12-11-16(13-18(17)26-21)20(25)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H2,22,23)(H,24,25)

InChIKey:

HWVRAXQZLQFQPC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N
CACTVS 3.385	Nc1sc2cc(ccc2n1)C(=O)NC(c3ccccc3)c4ccccc4

Name:

2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide

ChEMBL:

CHEMBL4435791

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).