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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03781651

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NTNISONICOTINAMIDINEA7ADH0.79
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.74
APY2-AMINOMETHYL-PYRIDINEI1IVP0.74
DA1PYRIDINE-2,5-DIAMINEA2AQD0.72
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.7
D4GA,B,C,D2FDY0.75
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
1UW60.82
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.82
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.82
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.74
RW14-phenylpyrimidineA,B,C3B9S0.75
MILMILRINONEA,B1TLM0.7
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.71
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A,C2C5O0.71
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A1PXJ0.71
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.75
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.8
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.73
PYS2-PYRIDINETHIOLA,B1CTE0.76
PYS2-PYRIDINETHIOLA2IPP0.76
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.84
2AP2-AMINOPYRIDINEA1AEO0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.79
2755-amino-1,2-dimethylpyridiniumX2RBW0.74
4AP4-AMINOPYRIDINEA1AEG0.72
3AP3-AMINOPYRIDINEA1AEF0.71
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.71
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.71
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.72
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.78
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.78
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.78
1SQISOQUINOLIN-1-AMINEA2OHK0.72
3MP3-METHYLPYRIDINEA1EUB0.81
3MP3-METHYLPYRIDINEA1BM60.81
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.72
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.74
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.74
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.74
2862-ethenyl-1-methylpyridiniumX2RC20.78
5IQISOQUINOLIN-5-AMINEA,B2F2T0.73
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.77
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.77
ISQISOQUINOLINEA1GDK0.73
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.79
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.72
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.86