BioLiP

PDB

BioLiP

PDB CCD ID:

PCH

Number of entries in BioLiP:

Chemical formula:

C15 H24 N2 O2

InChI:

InChI=1S/C15H24N2O2/c16-14(10-12-4-2-1-3-5-12)15(18)11-19-13-6-8-17-9-7-13/h6-9,12,14-15,18H,1-5,10-11,16H2/t14-,15-/m0/s1

InChIKey:

SCCSQJNTNWRNGV-GJZGRUSLSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](CC1CCCCC1)[CH](O)COc2ccncc2
OpenEye OEToolkits 1.5.0	c1cnccc1OCC(C(CC2CCCCC2)N)O
ACDLabs 10.04	O(c1ccncc1)CC(O)C(N)CC2CCCCC2
OpenEye OEToolkits 1.5.0	c1cnccc1OC[C@@H]([C@H](CC2CCCCC2)N)O
CACTVS 3.341	N[C@@H](CC1CCCCC1)[C@@H](O)COc2ccncc2

Name:

3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-4-YLOXY)BUTAN-2-OL

ZINC:

ZINC000005975173

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).