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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006688

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D4GA,B,C,D2FDY0.73
NTNISONICOTINAMIDINEA7ADH0.79
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.82
2AP2-AMINOPYRIDINEA1AEO0.75
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.85
APY2-AMINOMETHYL-PYRIDINEI1IVP0.85
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.74
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.75
3MP3-METHYLPYRIDINEA1EUB0.78
3MP3-METHYLPYRIDINEA1BM60.78
DA1PYRIDINE-2,5-DIAMINEA2AQD0.84
4AP4-AMINOPYRIDINEA1AEG0.82
PHN1,10-PHENANTHROLINEA1LIH0.7
PHN1,10-PHENANTHROLINEA2LIG0.7
PHN1,10-PHENANTHROLINEA,B2FU70.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.79
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.75
26DPYRIDINE-2,6-DIAMINEA2ANZ0.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.72
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.87
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.76
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.74
PYS2-PYRIDINETHIOLA,B1CTE0.75
PYS2-PYRIDINETHIOLA2IPP0.75
1CI1-(4-CHLOROPHENYL)-1H-IMIDAZOLEA,B,C,D,E,F,G2Q6N0.74
ISQISOQUINOLINEA1GDK0.7
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.73
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.76
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.76
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.74
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.74
3AP3-AMINOPYRIDINEA1AEF0.88
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.71
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.73
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.73
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.7
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.76
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.73
EPJEPIBATIDINEA,B,C,D,E2BYQ0.77
XMK1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE
A1IQM0.7
5IQISOQUINOLIN-5-AMINEA,B2F2T0.74
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.73
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
1UW60.72
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.72
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.72
2862-ethenyl-1-methylpyridiniumX2RC20.78
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.77