BioLiP

PDB

BioLiP

PDB CCD ID:

CFK

Number of entries in BioLiP:

Chemical formula:

C12 H11 N3 O2 S

InChI:

InChI=1S/C12H11N3O2S/c13-11(16)10-8(15-12(14)17)6-9(18-10)7-4-2-1-3-5-7/h1-6H,(H2,13,16)(H3,14,15,17)

InChIKey:

HKWYRLYHYBFHLL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)c2cc(c(s2)C(=O)N)NC(=O)N
CACTVS 3.370	NC(=O)Nc1cc(sc1C(N)=O)c2ccccc2
ACDLabs 12.01	O=C(c1sc(cc1NC(=O)N)c2ccccc2)N

Name:

3-(carbamoylamino)-5-phenylthiophene-2-carboxamide

ChEMBL:

CHEMBL1831214

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).