BioLiP

PDB

BioLiP

PDB CCD ID:

IID

Number of entries in BioLiP:

Chemical formula:

C25 H31 N3 O2

InChI:

InChI=1S/C25H31N3O2/c1-18(2)27-13-11-21(12-14-27)26-25(29)24-16-20-8-4-5-10-23(20)28(24)17-19-7-6-9-22(15-19)30-3/h4-10,15-16,18,21H,11-14,17H2,1-3H3,(H,26,29)

InChIKey:

GIPCBGDQVGKMPO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(NC1CCN(C(C)C)CC1)c3cc2ccccc2n3Cc4cccc(OC)c4
OpenEye OEToolkits 1.5.0	CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cccc(c4)OC
CACTVS 3.341	COc1cccc(Cn2c(cc3ccccc23)C(=O)NC4CCN(CC4)C(C)C)c1

Name:

N-(1-ISOPROPYLPIPERIDIN-4-YL)-1-(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE;
1-(3-METHOXY-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID (1-ISOPROPYL-PIPERIDIN- 4-YL)-AMIDE

ChEMBL:

CHEMBL182323

DrugBank:

DB07973

ZINC:

ZINC000012355093

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).