BioLiP

PDB

BioLiP

PDB CCD ID:

E2R

Number of entries in BioLiP:

Chemical formula:

C19 H21 Cl N2 O

InChI:

InChI=1S/C19H21ClN2O/c20-14-7-10-19-17(11-14)22(12-13-5-8-15(21)9-6-13)16-3-1-2-4-18(16)23-19/h1-4,7,10-11,13,15H,5-6,8-9,12,21H2/t13-,15-

InChIKey:

MPTVFYKUPILTGI-CTYIDZIISA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH]1CC[CH](CC1)CN2c3ccccc3Oc4ccc(Cl)cc24
CACTVS 3.385	N[C@@H]1CC[C@H](CC1)CN2c3ccccc3Oc4ccc(Cl)cc24
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CC4CCC(CC4)N

Name:

4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine

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).