Structure of PDB 8ulg Chain A Binding Site BS01 |
>8ulg Chain A (length=827) Species: 9913 (Bos taurus)
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TAEEVEKFLDSNVSFAKQYYNLRYRAKVISDLLGPREAAVDFSNYHALNS VEESEIIFDLLRDFQDNLQAEKCVFNVMKKLCFLLQADRMSLFMYRARNG IAELATRLFNVHKDAVLEECLVAPDSEIVFPLDMGVVGHVALSKKIVNVP NTEEDEHFCDFVDTLTEYQTKNILASPIMNGKDVVAIIMVVNKVDGPHFT ENDEEILLKYLNFANLIMKVFHLSYLHNCETRRGQILLWSGSKVFEELTD IERQFHKALYTVRAFLNCDRYSVGLLDMTKQKEFFDVWPVLMGEAPPYAG PRTPDGREINFYKVIDYILHGKEDIKVIPNPPPDHWALVSGLPTYVAQNG LICNIMNAPSEDFFAFQKEPLDESGWMIKNVLSMPIVNKKEEIVGVATFY NRKDGKPFDEMDETLMESLTQFLGWSVLNPDTYELMNKLENRKDIFQDMV KYHVKCDNEEIQTILKTREVYGKEPWECEEEELAEILQGELPDADKYEIN KFHFSDLPLTELELVKCGIQMYYELKVVDKFHIPQEALVRFMYSLSKGYR RITYHNWRHGFNVGQTMFSLLVTGKLKRYFTDLEALAMVTAAFCHDIDHR GTNNLYQMKSQNPLAKLHGSSILERHHLEFGKTLLRDESLNIFQNLNRRQ HEHAIHMMDIAIIATDLALYFKKRTMFQKIVDQSKTYETQQEWTQYMMLD QTRKEIVMAMMMTACDLSAITKPWEVQSKVALLVAAEFWEQGDLERTVLQ QNPIPMMDRNKADELPKLQVGFIDFVCTFVYKEFSRFHEEITPMLDGITN NRKEWKALADEYETKMKGLEEEKQKQQ |
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Ligand ID | PCG |
InChI | InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 |
InChIKey | ZOOGRGPOEVQQDX-UUOKFMHZSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=C(NC2=O)N | ACDLabs 10.04 | O=C4NC(=Nc1c4ncn1C3OC2COP(=O)(OC2C3O)O)N | OpenEye OEToolkits 1.5.0 | c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N | CACTVS 3.341 | NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O | CACTVS 3.341 | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O |
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Formula | C10 H12 N5 O7 P |
Name | CYCLIC GUANOSINE MONOPHOSPHATE |
ChEMBL | CHEMBL395336 |
DrugBank | DB02315 |
ZINC | ZINC000004095501
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PDB chain | 8ulg Chain A Residue 901
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Enzyme Commision number |
3.1.4.35: 3',5'-cyclic-GMP phosphodiesterase. |
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