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BioLiP Library

PDB CCD ID: ACL
Number of entries in BioLiP: 0
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)CCl)N)CNC(=N)N
CACTVS 3.341N[CH](CCCNC(N)=N)C(=O)CCl
CACTVS 3.341N[C@@H](CCCNC(N)=N)C(=O)CCl
ACDLabs 10.04ClCC(=O)C(N)CCCNC(=[N@H])N
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)CCl)N)CNC(=N)N
Name:DEOXY-CHLOROMETHYL-ARGININE
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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