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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03325383

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide
A,B,C3F070.71
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.73
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.76
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.8
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.77
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
D4GA,B,C,D2FDY0.74
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.7
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.8
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.8
2MI2-METHYL-1H-INDOLEA2PIO0.73
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.71
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.85
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.8
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.73
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.74
THZBENZOTHIAZOLEH,I,R1TBZ0.71
THZBENZOTHIAZOLEH,I,R1B5G0.71
PHN1,10-PHENANTHROLINEA1LIH0.72
PHN1,10-PHENANTHROLINEA2LIG0.72
PHN1,10-PHENANTHROLINEA,B2FU70.72
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.78
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.78
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.78
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.78
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE
A1BL60.7
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.71
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.73
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
DA1PYRIDINE-2,5-DIAMINEA2AQD0.73
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.71
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
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.76
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.72
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.7
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.83
APY2-AMINOMETHYL-PYRIDINEI1IVP0.83
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.89
PYS2-PYRIDINETHIOLA,B1CTE0.75
PYS2-PYRIDINETHIOLA2IPP0.75
LL13-pyridin-4-yl-1H-indazoleA3DNE0.71
3AP3-AMINOPYRIDINEA1AEF0.76
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.73
LTNL-TRYPTOPHANAMIDEA1MAU0.7
LTNL-TRYPTOPHANAMIDEA,B2QUI0.7
MR31-METHYL-1H-PYRROLEX2OU00.76
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.72
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.78
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.78
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.78
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.78
2862-ethenyl-1-methylpyridiniumX2RC20.91
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.71
NTNISONICOTINAMIDINEA7ADH0.74
INDINDOLEA1L4H0.79
INDINDOLEA,B,G1O7N0.79
INDINDOLEA185L0.79
INDINDOLEA,B1EG90.79
INDINDOLEA,B1UUV0.79
INDINDOLEA,C,E2B240.79
INDINDOLEA,B,C,D,E,F2P850.79
1CI1-(4-CHLOROPHENYL)-1H-IMIDAZOLEA,B,C,D,E,F,G2Q6N0.7
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.7
RW14-phenylpyrimidineA,B,C3B9S0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
ISQISOQUINOLINEA1GDK0.75
4AP4-AMINOPYRIDINEA1AEG0.75
RBUA,B1BEX0.71
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.7
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.7
3MP3-METHYLPYRIDINEA1EUB0.79
3MP3-METHYLPYRIDINEA1BM60.79