BioLiP

PDB

BioLiP

PDB CCD ID:

GVB

Number of entries in BioLiP:

Chemical formula:

C20 H26 N2 O2

InChI:

InChI=1S/C20H26N2O2/c1-14-5-4-6-15(11-14)17-13-22(10-9-18(17)21)16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17-18H,9-10,13,21H2,1-3H3/t17-,18-/m0/s1

InChIKey:

DQJXBZGPJVSWFI-ROUUACIJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1cccc(c1)[C@@H]2C[N@@](CC[C@@H]2N)c3ccc(c(c3)OC)OC
ACDLabs 10.04	O(c1c(OC)cc(cc1)N3CCC(N)C(c2cccc(c2)C)C3)C
CACTVS 3.341	COc1ccc(cc1OC)N2CC[CH](N)[CH](C2)c3cccc(C)c3
OpenEye OEToolkits 1.5.0	Cc1cccc(c1)C2CN(CCC2N)c3ccc(c(c3)OC)OC
CACTVS 3.341	COc1ccc(cc1OC)N2CC[C@H](N)[C@@H](C2)c3cccc(C)c3

Name:

(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE

DrugBank:

DB07851

ZINC:

ZINC000035942375

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).