BioLiP

PDB

BioLiP

PDB CCD ID:

DC0

Number of entries in BioLiP:

Chemical formula:

C15 H24 N2 O2

InChI:

InChI=1S/C15H24N2O2/c1-11(2)8-13(16)10-17-14(15(18)19)9-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10,16H2,1-2H3,(H,18,19)/t13-,14-/m0/s1

InChIKey:

ZTDJCNPVROYUSY-KBPBESRZSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC(C)C[CH](N)CN[CH](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.0	CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(=O)O)N
OpenEye OEToolkits 1.7.0	CC(C)CC(CNC(Cc1ccccc1)C(=O)O)N
CACTVS 3.370	CC(C)C[C@H](N)CN[C@@H](Cc1ccccc1)C(O)=O
ACDLabs 12.01	O=C(O)C(NCC(N)CC(C)C)Cc1ccccc1

Name:

N-[(2S)-2-amino-4-methylpentyl]-L-phenylalanine

ZINC:

ZINC000098208792

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).