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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00849775

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
1UW60.83
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.83
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.83
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.73
3AP3-AMINOPYRIDINEA1AEF0.77
D4GA,B,C,D2FDY0.75
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.74
5IQISOQUINOLIN-5-AMINEA,B2F2T0.76
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.71
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.72
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.76
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.76
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.76
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.79
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.79
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.75
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.76
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.81
DA1PYRIDINE-2,5-DIAMINEA2AQD0.74
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.74
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.87
2862-ethenyl-1-methylpyridiniumX2RC20.88
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.75
EPJEPIBATIDINEA,B,C,D,E2BYQ0.71
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.72
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.72
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.72
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.71
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.72
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
2MI2-METHYL-1H-INDOLEA2PIO0.71
PYS2-PYRIDINETHIOLA,B1CTE0.75
PYS2-PYRIDINETHIOLA2IPP0.75
4AP4-AMINOPYRIDINEA1AEG0.77
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.71
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.77
MR31-METHYL-1H-PYRROLEX2OU00.76
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.72
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.75
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.72
1CI1-(4-CHLOROPHENYL)-1H-IMIDAZOLEA,B,C,D,E,F,G2Q6N0.72
PHN1,10-PHENANTHROLINEA1LIH0.71
PHN1,10-PHENANTHROLINEA2LIG0.71
PHN1,10-PHENANTHROLINEA,B2FU70.71
2AP2-AMINOPYRIDINEA1AEO0.71
NTNISONICOTINAMIDINEA7ADH0.75
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.81
APY2-AMINOMETHYL-PYRIDINEI1IVP0.81
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.76
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.76
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.76
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.76
ISQISOQUINOLINEA1GDK0.75
2755-amino-1,2-dimethylpyridiniumX2RBW0.83
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72
3MP3-METHYLPYRIDINEA1EUB0.79
3MP3-METHYLPYRIDINEA1BM60.79
INDINDOLEA1L4H0.76
INDINDOLEA,B,G1O7N0.76
INDINDOLEA185L0.76
INDINDOLEA,B1EG90.76
INDINDOLEA,B1UUV0.76
INDINDOLEA,C,E2B240.76
INDINDOLEA,B,C,D,E,F2P850.76
1SQISOQUINOLIN-1-AMINEA2OHK0.7