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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006715

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NCANICOTINAMIDEA,B2E5D0.75
NCANICOTINAMIDEA,B,C,D2Z770.75
NCANICOTINAMIDEA,B1DMA0.75
NCANICOTINAMIDEA,B1ISM0.75
NCANICOTINAMIDEA,B1YC50.75
NCANICOTINAMIDEA2ZB70.75
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.75
NCANICOTINAMIDEA,B2QQG0.75
NCANICOTINAMIDEA2OTV0.75
NCANICOTINAMIDEA2QHF0.75
NCANICOTINAMIDEA,B,C,D2C8A0.75
NCANICOTINAMIDEA,B2HJH0.75
NCANICOTINAMIDEA2A150.75
NCANICOTINAMIDEA2R6V0.75
NCANICOTINAMIDEA,B1ISI0.75
NCANICOTINAMIDEA,D,E2R9J0.75
NCANICOTINAMIDEA2H4J0.75
NCANICOTINAMIDEA,B2OD90.75
NCANICOTINAMIDEA,B,C,D,E1YC20.75
NCANICOTINAMIDEA,B3DZG0.75
NCANICOTINAMIDEA1OJU0.75
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.7
PY7PYRIDIN-4-YLMETHANOLA2EUR0.77
MR31-METHYL-1H-PYRROLEX2OU00.72
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.72
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
1UW60.8
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.8
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.8
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.71
26DPYRIDINE-2,6-DIAMINEA2ANZ0.75
ISQISOQUINOLINEA1GDK0.81
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.74
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.74
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.74
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.74
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.74
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.74
2823-methoxypyridineX2RBZ0.71
4AP4-AMINOPYRIDINEA1AEG0.83
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.79
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.79
PYS2-PYRIDINETHIOLA,B1CTE0.88
PYS2-PYRIDINETHIOLA2IPP0.88
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.78
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.83
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.83
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.83
2862-ethenyl-1-methylpyridiniumX2RC20.88
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.79
3MP3-METHYLPYRIDINEA1EUB0.91
3MP3-METHYLPYRIDINEA1BM60.91
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.86
APY2-AMINOMETHYL-PYRIDINEI1IVP0.86
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.81
DA1PYRIDINE-2,5-DIAMINEA2AQD0.79
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.73
NTNISONICOTINAMIDINEA7ADH0.86
2AP2-AMINOPYRIDINEA1AEO0.8
D4GA,B,C,D2FDY0.83
MILMILRINONEA,B1TLM0.71
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.87
3AP3-AMINOPYRIDINEA1AEF0.83
1SQISOQUINOLIN-1-AMINEA2OHK0.72
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.78
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.78
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.72
5IQISOQUINOLIN-5-AMINEA,B2F2T0.74
PYF3-PYRIDINYLCARBINOLA,B1R160.76
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.79
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.79
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.79
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.7
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.72
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.79
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.73
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.84
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.76
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.77