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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02103569

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.71
3MP3-METHYLPYRIDINEA1EUB0.72
3MP3-METHYLPYRIDINEA1BM60.72
D4GA,B,C,D2FDY0.72
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.71
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.71
PYS2-PYRIDINETHIOLA,B1CTE0.73
PYS2-PYRIDINETHIOLA2IPP0.73
5IQISOQUINOLIN-5-AMINEA,B2F2T0.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.76
NTNISONICOTINAMIDINEA7ADH0.7
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.77
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.77
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.77
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.72
ISQISOQUINOLINEA1GDK0.74
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1UW60.72
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.72
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.72