2026-07-25_00000211
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ligand
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9SI2
Human DDR1 in complex with a pyrrolidine inhibitor;
X-ray diffraction 2.12Å
Protein #1
310 residues (94% resolved)
Raw Sequence ...
VDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDGQAAQGPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNT
Canonical Sequence ...
VDFPRSRLRFKEKLGEGQFGEVHLCEVDSPQDLVSLDFPLNVRKGHPLLVAVKILRPDATKNARNDFLKEVKIMSRLKDPNIIRLLGVCVQDDPLCMITDYMENGDLNQFLSAHQLEDKAAEGAPGDGQAAQGPTISYPMLLHVAAQIASGMRYLATLNFVHRDLATRNCLVGENFTIKIADFGMSRNLYAGDYYRVQGRAVLPIRWMAWECILMGKFTTASDVWAFGVTLWEVLMLCRAQPFGQLTDEQVIENAGEFFRDQGRQVYLSRPPACPQGLYELMLRCWSRESEQRPPFSQLHRFLAEDALNT
Non polymer #2
A1JN1
InChI=1S/C26H25F3N4O2/c1-16-6-7-17(25(35)32-21-5-3-4-20(12-21)26(27,28)29)11-23(16)18-8-9-33(15-18)22-10-19(13-31-14-22)24(34)30-2/h3-7,10-14,18H,8-9,15H2,1-2H3,(H,30,34)(H,32,35)/t18-/m1/s1
InChI=1S/C26H25F3N4O2/c1-16-6-7-17(25(35)32-21-5-3-4-20(12-21)26(27,28)29)11-23(16)18-8-9-33(15-18)22-10-19(13-31-14-22)24(34)30-2/h3-7,10-14,18H,8-9,15H2,1-2H3,(H,30,34)(H,32,35)/t18-/m1/s1
SMILES: Cc1ccc(cc1[C@@H]2CCN(C2)c3cc(cnc3)C(=O)NC)C(=O)Nc4cccc(c4)C(F)(F)F
Cc1ccc(cc1[C@@H]2CCN(C2)c3cc(cnc3)C(=O)NC)C(=O)Nc4cccc(c4)C(F)(F)F
Non polymer #3
B3P
InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2
InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2
SMILES: C(CNC(CO)(CO)CO)CNC(CO)(CO)CO
C(CNC(CO)(CO)CO)CNC(CO)(CO)CO
Non polymer #4
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Biounit #1
monomer
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Model
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