BioLiP

PDB

BioLiP

PDB CCD ID:

A1D8L

Number of entries in BioLiP:

Chemical formula:

C21 H27 N5

InChI:

InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1

InChIKey:

WVLHHLRVNDMIAR-IBGZPJMESA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCCCCN(Cc1[nH]c2ccccc2n1)[C@H]3CCCc4cccnc34
CACTVS 3.385	NCCCCN(Cc1[nH]c2ccccc2n1)[CH]3CCCc4cccnc34
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)[nH]c(n2)CN(CCCCN)C3CCCc4c3nccc4
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)[nH]c(n2)CN(CCCCN)[C@H]3CCCc4c3nccc4

Name:

Mavorixafor;
AMD-070

ChEMBL:

CHEMBL518924

DrugBank:

DB05501

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).