BioLiP

PDB

BioLiP

PDB CCD ID:

FCH

Number of entries in BioLiP:

Chemical formula:

C17 H28 N2 O

InChI:

InChI=1S/C17H28N2O/c18-16(11-14-7-3-1-4-8-14)17(20)13-19-12-15-9-5-2-6-10-15/h1,3-4,7-8,15-17,19-20H,2,5-6,9-13,18H2/t16-,17+/m0/s1

InChIKey:

ZXSVBSSNAIRCGF-DLBZAZTESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	c1ccc(cc1)C[C@@H]([C@@H](CNCC2CCCCC2)O)N
CACTVS 3.370	N[CH](Cc1ccccc1)[CH](O)CNCC2CCCCC2
ACDLabs 12.01	OC(CNCC1CCCCC1)C(N)Cc2ccccc2
CACTVS 3.370	N[C@@H](Cc1ccccc1)[C@H](O)CNCC2CCCCC2
OpenEye OEToolkits 1.7.2	c1ccc(cc1)CC(C(CNCC2CCCCC2)O)N

Name:

(2R,3S)-3-amino-1-[(cyclohexylmethyl)amino]-4-phenylbutan-2-ol

ZINC:

ZINC000098208872

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).