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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03180030

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.74
APY2-AMINOMETHYL-PYRIDINEI1IVP0.74
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.76
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.71
RW14-phenylpyrimidineA,B,C3B9S0.74
3AP3-AMINOPYRIDINEA1AEF0.7
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.84
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.83
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.83
2755-amino-1,2-dimethylpyridiniumX2RBW0.73
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.75
CK3N-[4-(2,4-DIMETHYL-1,3-THIAZOL-
5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE
A1PXK0.71
L224-(2-amino-1,3-thiazol-4-yl)pyrimidin-
2-amine
A,B2W700.71
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.72
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.72
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A,C2C5N0.72
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A1PXP0.72
D4GA,B,C,D2FDY0.77
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.79
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.71
26DPYRIDINE-2,6-DIAMINEA2ANZ0.78
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.74
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.77
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.77
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.77
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.71
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.74
NTNISONICOTINAMIDINEA7ADH0.77
PYS2-PYRIDINETHIOLA,B1CTE0.75
PYS2-PYRIDINETHIOLA2IPP0.75
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.7
2AP2-AMINOPYRIDINEA1AEO0.82
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.71
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.7
4AP4-AMINOPYRIDINEA1AEG0.7
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.76
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A,C2C5O0.74
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A1PXJ0.74
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
1UW60.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.73
DA1PYRIDINE-2,5-DIAMINEA2AQD0.81
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.7
1SQISOQUINOLIN-1-AMINEA2OHK0.77
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.7
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.72
3MP3-METHYLPYRIDINEA1EUB0.76
3MP3-METHYLPYRIDINEA1BM60.76
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.73
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.71
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.73
2862-ethenyl-1-methylpyridiniumX2RC20.78
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.71