BioLiP

PDB

BioLiP

PDB CCD ID:

ACL

Number of entries in BioLiP:

Chemical formula:

C7 H15 Cl N4 O

InChI:

InChI=1S/C7H15ClN4O/c8-4-6(13)5(9)2-1-3-12-7(10)11/h5H,1-4,9H2,(H4,10,11,12)/t5-/m0/s1

InChIKey:

VNDNKFJKUBLYQB-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CC(C(=O)CCl)N)CNC(=N)N
CACTVS 3.341	N[CH](CCCNC(N)=N)C(=O)CCl
CACTVS 3.341	N[C@@H](CCCNC(N)=N)C(=O)CCl
ACDLabs 10.04	ClCC(=O)C(N)CCCNC(=[N@H])N
OpenEye OEToolkits 1.5.0	C(C[C@@H](C(=O)CCl)N)CNC(=N)N

Name:

DEOXY-CHLOROMETHYL-ARGININE

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).