BioLiP

PDB

BioLiP

PDB CCD ID:

4TU

Number of entries in BioLiP:

Chemical formula:

C9 H9 Cl N2 O

InChI:

InChI=1S/C9H9ClN2O/c10-7-1-2-8-6(5-7)3-4-12(8)9(11)13/h1-2,5H,3-4H2,(H2,11,13)

InChIKey:

BOMYLDVQOSGKAD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	c1cc2c(cc1Cl)CCN2C(=O)N
CACTVS 3.385	NC(=O)N1CCc2cc(Cl)ccc12

Name:

5-chloranyl-2,3-dihydroindole-1-carboxamide

ZINC:

ZINC000000396968

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).