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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03217467

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM		A2HOP0.72
PZZ3-{3-[(DIMETHYLAMINO)METHYL]-1H-
INDOL-7-YL}PROPAN-1-OL		A2QHW0.73
DTRD-TRYPTOPHANA,B,C,D2R3C0.7
DTRD-TRYPTOPHANA1XY80.7
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.7
DTRD-TRYPTOPHANA2V7K0.7
DTRD-TRYPTOPHANA,D1CZQ0.7
DTRD-TRYPTOPHANA1DFY0.7
DTRD-TRYPTOPHANA1XY50.7
DTRD-TRYPTOPHANA1NXN0.7
DTRD-TRYPTOPHANA1TKF0.7
DTRD-TRYPTOPHANA1YL90.7
DTRD-TRYPTOPHANA1XXZ0.7
DTRD-TRYPTOPHANA1XY40.7
DTRD-TRYPTOPHANA,D2Q3I0.7
DTRD-TRYPTOPHANA1QFB0.7
DTRD-TRYPTOPHANA1DFZ0.7
DTRD-TRYPTOPHANA1XY90.7
DTRD-TRYPTOPHANA1XY60.7
DTRD-TRYPTOPHANA2SOC0.7
DTRD-TRYPTOPHANA2JUE0.7
DTRD-TRYPTOPHANA1SOC0.7
DTRD-TRYPTOPHANA1YL80.7
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H		1DDO0.7
DTRD-TRYPTOPHANA,B2Q330.7
DTRD-TRYPTOPHANA1DG00.7
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.7
3MP3-METHYLPYRIDINEA1EUB0.75
3MP3-METHYLPYRIDINEA1BM60.75
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.72
LL13-pyridin-4-yl-1H-indazoleA3DNE0.7
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.71
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE		A2AAQ0.7
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE		A3HVC0.71
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.71
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.71
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE		A,B2ET00.71
TPLTRYPTOPHANOLA1EE70.77
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.71
PYF3-PYRIDINYLCARBINOLA,B1R160.78
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2DV20.77
TOX2-AMINO-3-(1-HYDROPEROXY-1H-INDOL-
3-YL)PROPAN-1-OL		A,B2FXJ0.77
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.71
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.71
2862-ethenyl-1-methylpyridiniumX2RC20.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.7
APY2-AMINOMETHYL-PYRIDINEI1IVP0.7
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE		B2BPV0.7
1IN1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-
CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-
4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-
2-CARBOXYLIC ACID TERT-BUTYLAMIDE		B2BPW0.7
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol		A,B3EPX0.78
PY7PYRIDIN-4-YLMETHANOLA2EUR0.79
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YV50.8
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B1RQJ0.8
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YQ70.8
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A1YHL0.8
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A2QIS0.8
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID		A,B2O1O0.8
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1BEU0.71
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1QOP0.71
IPLINDOLE-3-PROPANOL PHOSPHATEA,B2TRS0.71
IPLINDOLE-3-PROPANOL PHOSPHATEA1WXJ0.71
IPLINDOLE-3-PROPANOL PHOSPHATEA,B1KFC0.71
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		1UW60.84
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.84
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.84
5IQISOQUINOLIN-5-AMINEA,B2F2T0.72
PCH3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-
4-YLOXY)BUTAN-2-OL		I1E820.72
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AH00.75
TSC(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOLD,H2AGZ0.75
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1FUY0.7
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A500.7
FIP5-FLUOROINDOLE PROPANOL PHOSPHATEA,B1A5S0.7
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM		A,B2E940.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.74
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.77
JI13-({(3S,4S)-4-[(6-aminopyridin-
2-yl)methyl]pyrrolidin-3-yl}amino)propan-
1-ol		A,B3B3M0.71
EPJEPIBATIDINEA,B,C,D,E2BYQ0.72
ISQISOQUINOLINEA1GDK0.74
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.76
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.75
11P[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-
7-yl(hydroxy)methylene]bis(phosphonic acid)		A2RAH0.79
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL		A1QXY0.7
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.73
DRP2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-
MONOPHOSPHATE		A,B1JES0.75
GPI(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-
DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE		A1F400.74
NTNISONICOTINAMIDINEA7ADH0.73