BioLiP

PDB

BioLiP

PDB CCD ID:

NFP

Number of entries in BioLiP:

Chemical formula:

C17 H19 N O2 S

InChI:

InChI=1S/C17H19NO2S/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16H,11-12,18H2/t16-/m0/s1

InChIKey:

ZPXIQFOUPUVVPU-INIZCTEOSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[CH](CCc1ccccc1)C=C[S](=O)(=O)c2ccccc2
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CC[C@@H](/C=C/S(=O)(=O)c2ccccc2)N
CACTVS 3.370	N[C@@H](CCc1ccccc1)/C=C/[S](=O)(=O)c2ccccc2
ACDLabs 12.01	O=S(=O)(/C=C/C(N)CCc1ccccc1)c2ccccc2
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CCC(C=CS(=O)(=O)c2ccccc2)N

Name:

(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine

DrugBank:

DB02869

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).