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BioLiP

PDB CCD ID: FON
Number of entries in BioLiP: 49
Chemical formula: C20 H23 N7 O7
InChI: InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13+/m1/s1
InChIKey: VVIAGPKUTFNRDU-OLZOCXBDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)C2=C(NC[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)N2C=O)N1
CACTVS 3.341NC1=NC(=O)C2=C(NC[C@@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2C=O)N1
ACDLabs 10.04O=C(O)C(NC(=O)c1ccc(cc1)NCC3N(C2=C(NC(=NC2=O)N)NC3)C=O)CCC(=O)O
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)N=C(N3)N
Name:N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid;
[6R]-5-FORMYL-5,6,7,8-TETRAHYDROFOLATE;
6R-FOLINIC ACID
ChEMBL: CHEMBL1232801
DrugBank: DB03256
ZINC: ZINC000009212428
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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