BioLiP

PDB

BioLiP

PDB CCD ID:

RC5

Number of entries in BioLiP:

Chemical formula:

C14 H22 N O5 P

InChI:

InChI=1S/C14H22NO5P/c1-15(17)14(16)10-13(11-21(18,19)20)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-11H2,1H3,(H2,18,19,20)/t13-/m1/s1

InChIKey:

YKRNADVNYIPUET-CYBMUJFWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(O)C(=O)C[C@@H](CCCc1ccccc1)C[P](O)(O)=O
CACTVS 3.385	CN(O)C(=O)C[CH](CCCc1ccccc1)C[P](O)(O)=O
ACDLabs 12.01	O=P(O)(O)CC(CCCc1ccccc1)CC(=O)N(O)C
OpenEye OEToolkits 1.9.2	CN(C(=O)C[C@@H](CCCc1ccccc1)CP(=O)(O)O)O
OpenEye OEToolkits 1.9.2	CN(C(=O)CC(CCCc1ccccc1)CP(=O)(O)O)O

Name:

[(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid

ZINC:

ZINC000230570823

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).