BioLiP

PDB

BioLiP

PDB CCD ID:

I2U

Number of entries in BioLiP:

Chemical formula:

C14 H9 Cl N2 O3 S

InChI:

InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)

InChIKey:

IZSFDUMVCVVWKW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(sc1)C(=O)c2c3cc(ccc3n(c2O)C(=O)N)Cl
CACTVS 3.385	NC(=O)n1c(O)c(C(=O)c2sccc2)c3cc(Cl)ccc13

Name:

5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indole-1-carboxamide;
tenidap

ChEMBL:

CHEMBL1097558

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).