PDB CCD ID: | COP | ||||||||||||
Number of entries in BioLiP: | 2 | ||||||||||||
Chemical formula: | C27 H27 N9 O6 | ||||||||||||
InChI: | InChI=1S/C27H27N9O6/c28-21-20-22(36-27(29)35-21)32-13-16(33-20)12-31-15-9-7-14(8-10-15)23(37)34-19(26(41)42)6-3-11-30-24(38)17-4-1-2-5-18(17)25(39)40/h1-2,4-5,7-10,13,19,31H,3,6,11-12H2,(H,30,38)(H,34,37)(H,39,40)(H,41,42)(H4,28,29,32,35,36)/t19-/m0/s1 | ||||||||||||
InChIKey: | NYQPLPNEESYGNO-IBGZPJMESA-N | ||||||||||||
SMILES: |
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Name: | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID; PT523 | ||||||||||||
ChEMBL: | CHEMBL590985 | ||||||||||||
DrugBank: | DB06178 | ||||||||||||
ZINC: | ZINC000003807186 |