BioLiP

PDB

BioLiP

PDB CCD ID:

VU3

Number of entries in BioLiP:

Chemical formula:

C21 H24 N2

InChI:

InChI=1S/C21H24N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-20-16-19-8-4-5-9-21(19)22-20/h1-9,16,18,22H,10-15H2

InChIKey:

PXWYOBGHDFLUNG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	C1CN(CCC1c2ccccc2)CCc3[nH]c4ccccc4c3
OpenEye OEToolkits 1.6.1	c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3
ACDLabs 10.04	c2(cc1ccccc1n2)CCN4CCC(c3ccccc3)CC4

Name:

2-(2-(4-PHENYLPIPERIDIN-1-YL)ETHYL)-1H-INDOLE

ChEMBL:

CHEMBL1831032

ZINC:

ZINC000007078410

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).