BioLiP

PDB

BioLiP

PDB CCD ID:

9U9

Number of entries in BioLiP:

Chemical formula:

C17 H26 N2 O4

InChI:

InChI=1S/C17H26N2O4/c18-15(16(20)21)9-5-6-10-19-17(22)23-11-14-12-7-3-1-2-4-8-13(12)14/h12-15H,3-11,18H2,(H,19,22)(H,20,21)/t12-,13+,14-,15-/m0/s1

InChIKey:

QLDVOCPEKYLEOT-XGUBFFRZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCCCNC(=O)OCC1[CH]2CCC#CCC[CH]12)C(O)=O
CACTVS 3.385	N[C@@H](CCCCNC(=O)OCC1[C@H]2CCC#CCC[C@@H]12)C(O)=O
OpenEye OEToolkits 2.0.6	C1CC2C(C2COC(=O)NCCCCC(C(=O)O)N)CCC#C1
OpenEye OEToolkits 2.0.6	C1C[C@@H]2[C@@H](C2COC(=O)NCCCC[C@@H](C(=O)O)N)CCC#C1
ACDLabs 12.01	C1(C2CCC#CCCC12)COC(NCCCCC(C(O)=O)N)=O

Name:

N6-({[(1R,8S,9s)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)-L-lysine

ZINC:

ZINC000109335633

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).