BioLiP

PDB

BioLiP

PDB CCD ID:

0DB

Number of entries in BioLiP:

Chemical formula:

C28 H32 N2 O5

InChI:

InChI=1S/C28H32N2O5/c31-25(32)20(13-12-19-8-2-1-3-9-19)17-28(14-6-7-15-28)27(35)30-24(26(33)34)16-21-18-29-23-11-5-4-10-22(21)23/h1-5,8-11,18,20,24,29H,6-7,12-17H2,(H,30,35)(H,31,32)(H,33,34)/t20-,24+/m1/s1

InChIKey:

MPZIROHQGMKFGS-YKSBVNFPSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)[C@H](CCc1ccccc1)CC2(CCCC2)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(O)=O
ACDLabs 10.04	O=C(O)C(CCc1ccccc1)CC4(C(=O)NC(C(=O)O)Cc3c2ccccc2nc3)CCCC4
CACTVS 3.341	OC(=O)[CH](CCc1ccccc1)CC2(CCCC2)C(=O)N[CH](Cc3c[nH]c4ccccc34)C(O)=O

Name:

N-({1-[(2S)-2-carboxy-4-phenylbutyl]cyclopentyl}carbonyl)-L-tryptophan;
CCT

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).