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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007699

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.75
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.75
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.75
2862-ethenyl-1-methylpyridiniumX2RC20.83
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.79
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.79
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.79
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.75
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.77
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.73
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.73
NTNISONICOTINAMIDINEA7ADH0.81
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.77
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.74
PYS2-PYRIDINETHIOLA,B1CTE0.83
PYS2-PYRIDINETHIOLA2IPP0.83
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.79
PYF3-PYRIDINYLCARBINOLA,B1R160.72
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.74
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.74
D4GA,B,C,D2FDY0.78
3MP3-METHYLPYRIDINEA1EUB0.86
3MP3-METHYLPYRIDINEA1BM60.86
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.8
DA1PYRIDINE-2,5-DIAMINEA2AQD0.75
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
1UW60.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.76
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.76
PY7PYRIDIN-4-YLMETHANOLA2EUR0.73
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.71
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.75
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.75
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.75
3AP3-AMINOPYRIDINEA1AEF0.79
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.73
ISQISOQUINOLINEA1GDK0.77
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.75
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.75
4AP4-AMINOPYRIDINEA1AEG0.78
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.71
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.71
NCANICOTINAMIDEA,B2E5D0.71
NCANICOTINAMIDEA,B,C,D2Z770.71
NCANICOTINAMIDEA,B1DMA0.71
NCANICOTINAMIDEA,B1ISM0.71
NCANICOTINAMIDEA,B1YC50.71
NCANICOTINAMIDEA2ZB70.71
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.71
NCANICOTINAMIDEA,B2QQG0.71
NCANICOTINAMIDEA2OTV0.71
NCANICOTINAMIDEA2QHF0.71
NCANICOTINAMIDEA,B,C,D2C8A0.71
NCANICOTINAMIDEA,B2HJH0.71
NCANICOTINAMIDEA2A150.71
NCANICOTINAMIDEA2R6V0.71
NCANICOTINAMIDEA,B1ISI0.71
NCANICOTINAMIDEA,D,E2R9J0.71
NCANICOTINAMIDEA2H4J0.71
NCANICOTINAMIDEA,B2OD90.71
NCANICOTINAMIDEA,B,C,D,E1YC20.71
NCANICOTINAMIDEA,B3DZG0.71
NCANICOTINAMIDEA1OJU0.71
EPJEPIBATIDINEA,B,C,D,E2BYQ0.77
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.82
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.75
1CI1-(4-CHLOROPHENYL)-1H-IMIDAZOLEA,B,C,D,E,F,G2Q6N0.7
2AP2-AMINOPYRIDINEA1AEO0.76
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.81
APY2-AMINOMETHYL-PYRIDINEI1IVP0.81
26DPYRIDINE-2,6-DIAMINEA2ANZ0.71
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.78