BioLiP

PDB

BioLiP

PDB CCD ID:

02E

Number of entries in BioLiP:

Chemical formula:

C17 H22 N O5 P

InChI:

InChI=1S/C17H22NO5P/c1-21-14-8-13-17(18)24(19,20,22-15-9-4-2-5-10-15)23-16-11-6-3-7-12-16/h2-12,14,17,19-20H,13,18H2,1H3/b14-8+/t17-/m0/s1

InChIKey:

UDSHKAAJKDFNDC-AAKUMTKESA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OP(Oc1ccccc1)(Oc2ccccc2)(O)C(N)C\C=C\OC
CACTVS 3.370	COC=CC[CH](N)[P](O)(O)(Oc1ccccc1)Oc2ccccc2
OpenEye OEToolkits 1.7.0	COC=CCC(N)P(O)(O)(Oc1ccccc1)Oc2ccccc2
CACTVS 3.370	CO\C=C\C[C@@H](N)[P](O)(O)(Oc1ccccc1)Oc2ccccc2
OpenEye OEToolkits 1.7.0	CO/C=C/C[C@@H](N)P(O)(O)(Oc1ccccc1)Oc2ccccc2

Name:

(E,1S)-1-[dihydroxy(diphenoxy)-$l^{5}-phosphanyl]-4-methoxy-but-3-en-1-amine

ZINC:

ZINC000098207742

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).