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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00485340

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
A,B2PSJ0.75
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
A2F8P0.75
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
A1S360.75
C122-(1-AMINO-2-HYDROXYPROPYL)-4-(4-
HYDROXYBENZYL)-1-(2-OXOETHYL)-1H-
IMIDAZOL-5-OLATE
A2FZU0.76
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B,C,D2VVI0.71
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B,C,D1ZUX0.71
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B2DDD0.71
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B2DDC0.71
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B,C,D2VVH0.71
CR82-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]-
1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA-
2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL-
5-OLATE
A,B2GW30.71
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M1K830.7
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,
M,T
2VUM0.7
TRX6-HYDROXYTRYPTOPHANA,B,C,I,J,L,M3CQZ0.7
RC7{(2R)-4-(4-HYDROXYBENZYL)-2-[2-
(1H-IMIDAZOL-4-YL)ETHYL]-5-OXO-
2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETALDEHYDE
A,B,C,D2GW40.94
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol
A,B2QSE0.71
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE
A2ORP0.74
RUN2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-
L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-
(2-METHYLPROPIONYL)IMIDAZOLE
B1HPS0.76
C60[[[3-(2-METHYL-PROPANE-2-SULFONYL)-
1-BENZENYL]-2-PROPYL]-CARBONYL-
HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-
[2-HYDROXY-4-ISOPROPYL]-PENTAN-
5-OIC ACID BUTYLAMIDE
A1RNE0.73
IEY2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)-
4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE
A,B,C,D2BTJ0.87
IEY2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)-
4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE
A,B,C,D2VVJ0.87
YMPO-(ADENOSINE-5'-O-YL)-N-(L-TYROSYL)PHOSPHORAMIDATEX,Y2DLC0.71
ALH6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINEA,B1UNG0.73
APT2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-
METHYL]-4-HYDROXY-PTERIDIN-1-IUM
A,B1QCJ0.7
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL
X2A0C0.71
C1BH2B7D0.75
1212-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I,L1GHY0.72
FR21-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE
A1NDW0.71
U49(20S)-19,20,21,22-TETRAHYDRO-19-
OXO-5H-18,20-ETHANO-12,14-ETHENO-
6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-
K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-
9-CARBONITRILE
A,B1LD80.73
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B2ALY0.72
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B1VBM0.72
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B1VBN0.72
YSA5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINEA,B2PID0.72
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid
A3BQR0.72
IH32-(2,2-DIPHENYL-ETHYL)-7-METHYL-
1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-
[1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE-
5-CARBOXYLIC ACID [4-(2-AMINO-3H-
IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE
2,31C4Y0.71
REMNalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-
N-[(1S,2R,3S)-1-(cyclohexylmethyl)-
3-cyclopropyl-2,3-dihydroxypropyl]-
L-histidinamide
A,B3D910.76
IBB5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE
A109D0.71
SU9(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-
5-METHOXY-1H-INDOL-2(3H)-ONE
A1PF80.75
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID
A1OHJ0.72
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID
A1OHK0.72
VGB(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-
2-(2-phenylethyl)-8-(propanoylamino)-
5,6,7,8-tetrahydro-1H-imidazo[1,2-
a]pyridin-4-ium
A,B2WB50.73
HBNN-(2-NAPHTHYL)HISTIDINAMIDEB1VEA0.73
G142-phenyl-1H-imidazole-4-carboxylic acidA,B3GRJ0.72
XX5(S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLORO-
BENZYL)-3H-IMIDAZOL-4-YL]-ETHYLAMINO}-
4-METHYL-PENTANOIC ACID
A1R4L0.72
AKPN-(PYRAZIN-2-YLCARBONYL)LEUCYLISOLEUCYL-
N~1~-{1-[2-({1-CARBOXY-2-[4-(PHOSPHONOOXY)PHENYL]ETHYL}AMINO)-
1,1-DIHYDROXY-2-OXOETHYL]BUT-3-
ENYL}-3-CYCLOHEXYLALANINAMIDE
A,B1RGQ0.73
GPBN-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-
D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID
A1E260.7
43P4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL-
2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE
A1YC40.72
228N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-
1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-
4-YL]-D-PROLINAMIDE
A2ORO0.74
4F3[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(4-FLUORO-1H-INDOL-3-YLMETHYL)-
5-HYDROXY-IMIDAZOL-1-YL]-ACETIC ACID
A1RM90.71
U66(20S)-19,20,22,23-TETRAHYDRO-19-
OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-
6,10-METHENOBENZ[D]IMIDAZO[4,3-
L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-
9-CARBONITRILE
B1LD70.73
CX1N-[(benzyloxy)carbonyl]-L-histidyl-
N-methyl-L-phenylalanyl-L-tyrosine
B3C720.9
MT1N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-
6-YL)METHYL](METHYL)AMINO}BENZOYL)-
L-GLUTAMIC ACID
A,B2INQ0.7
IM1B1BDQ0.75
IM1A,B1TCW0.75
IM1A1SBG0.75
IM1A,B1BDL0.75
IM1B1BDR0.75
IM1A1TCX0.75
GSZN-[(5R,6R,7R,8S)-6,7-DIHYDROXY-
5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-
1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-
A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE
A,B2J620.72
HRP5-HYDROXY-L-TRYPTOPHANB1YIA0.7
PUYPUROMYCINA,B2DPT0.71
PUYPUROMYCIN1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1Q7Y0.71