eF-site ID 3r4o-B PDB Code 3r4o Chain B click to enlarge Title Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide Classification Chaperone/Chaperone inhibitor Compound Heat shock protein HSP 90-alpha Source Homo sapiens (Human) (HS90A_HUMAN) Sequence B:  VETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDAL DKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGI GMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGV GFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDT GEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGY PITLFVEKEL Description Functional site 1) chain B residue 51 type sequence N description BINDING SITE FOR RESIDUE FU3 B 901 source : AC2 2) chain B residue 52 type sequence S description BINDING SITE FOR RESIDUE FU3 B 901 source : AC2 3) chain B residue 54 type sequence D description BINDING SITE FOR RESIDUE FU3 B 901 source : AC2 4) chain B residue 55 type sequence A description BINDING SITE FOR RESIDUE FU3 B 901 source : AC2 5) chain B residue 58 type sequence K description BINDING SITE FOR RESIDUE FU3 B 901 source : AC2 6) chain B residue 93 type sequence D description BINDING SITE FOR RESIDUE FU3 B 901 source : AC2 7) chain B residue 97 type sequence G description BINDING SITE FOR RESIDUE FU3 B 901 source : AC2 8) chain B residue 98 type sequence M description BINDING SITE FOR RESIDUE FU3 B 901 source : AC2 9) chain B residue 102 type sequence D description BINDING SITE FOR RESIDUE FU3 B 901 source : AC2 10) chain B residue 106 type sequence N description BINDING SITE FOR RESIDUE FU3 B 901 source : AC2 11) chain B residue 107 type sequence L description BINDING SITE FOR RESIDUE FU3 B 901 source : AC2 12) chain B residue 120 type sequence E description BINDING SITE FOR RESIDUE FU3 B 901 source : AC2 13) chain B residue 138 type sequence F description BINDING SITE FOR RESIDUE FU3 B 901 source : AC2 14) chain B residue 184 type sequence T description BINDING SITE FOR RESIDUE FU3 B 901 source : AC2 15) chain B residue 51 type BINDING sequence N description source Swiss-Prot : SWS_FT_FI1 16) chain B residue 93 type BINDING sequence D description source Swiss-Prot : SWS_FT_FI1 17) chain B residue 138 type BINDING sequence F description source Swiss-Prot : SWS_FT_FI1 18) chain B residue 112 type BINDING sequence K description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 19) chain B residue 58 type MOD_RES sequence K description N6-acetyllysine => ECO:0000250|UniProtKB:P07901 source Swiss-Prot : SWS_FT_FI3 20) chain B residue 84 type MOD_RES sequence K description N6-acetyllysine => ECO:0000250|UniProtKB:P07901 source Swiss-Prot : SWS_FT_FI3

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