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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02498098

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OSB2-SUCCINYLBENZOATEA1FHV0.71
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.71
OSB2-SUCCINYLBENZOATEA,B2QVH0.71
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.79
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.91
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.73
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.73
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.77
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.77
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.77
4FCA1YSG0.76
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.73
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.82
AC01-PHENYLETHANONEA1ZK10.72
AC01-PHENYLETHANONEA1ZK40.72
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.78
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.7
DHCCAFFEIC ACIDA1KOU0.7
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.84
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.84
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.73
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.73
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.73
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.73
BZSL-BENZYLSUCCINIC ACIDA1CBX0.71
BZSL-BENZYLSUCCINIC ACIDA1HYT0.71
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.77
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.77
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.77
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.77
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.77
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.81
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.8
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDL0.72
TMM1,3,5-BENZENETRICARBOXYLIC ACIDA,B,C,D1SDK0.72
IBPIBUPROFENA3FKX0.72
IBPIBUPROFENA,B2BXG0.72
IBPIBUPROFENA,B1EQG0.72
IBPIBUPROFENA,B,C2WD90.72
IBPIBUPROFENA2PWS0.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.73
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.73
341(3,5-difluorophenyl)methanolC3EON0.7
FLPFLURBIPROFENA,B,C,D3PGH0.73
FLPFLURBIPROFENA,B1CQE0.73
FLPFLURBIPROFENA,B1EQH0.73
FLPFLURBIPROFENA,B2AYL0.73
FLPFLURBIPROFENA1DVT0.73
FLPFLURBIPROFENA1R9O0.73
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.76
BEZBENZOIC ACIDA,B2F8D0.77
BEZBENZOIC ACIDA,B1A8U0.77
BEZBENZOIC ACIDA,B1REE0.77
BEZBENZOIC ACIDA1L7Q0.77
BEZBENZOIC ACIDA1I690.77
BEZBENZOIC ACIDH,L1RUL0.77
BEZBENZOIC ACIDA,B3CCF0.77
BEZBENZOIC ACIDA1W9Q0.77
BEZBENZOIC ACIDA,B,G,J2DU80.77
BEZBENZOIC ACIDH,L1RUA0.77
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.77
BEZBENZOIC ACIDH,L1RU90.77
BEZBENZOIC ACIDA,B,C,D2V320.77
BEZBENZOIC ACIDA2QMQ0.77
BEZBENZOIC ACIDA1UKB0.77
BEZBENZOIC ACIDA,B1RED0.77
BEZBENZOIC ACIDA,B1OC30.77
BEZBENZOIC ACIDA,B1REF0.77
BEZBENZOIC ACIDA,B2O020.77
BEZBENZOIC ACIDA,B2VJ10.77
BEZBENZOIC ACIDA,B,C1WSP0.77
BEZBENZOIC ACIDA1HZ40.77
BEZBENZOIC ACIDA2Q380.77
BEZBENZOIC ACIDA,B,C,D1UUJ0.77
BEZBENZOIC ACIDA,B2QL80.77
BEZBENZOIC ACIDA2Q0I0.77
BEZBENZOIC ACIDA,B1S8F0.77
BEZBENZOIC ACIDD,E,F,G,H1DJR0.77
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.77
BEZBENZOIC ACIDA,B,C,D1I7Q0.77
BEZBENZOIC ACIDA,B,C,D2RHM0.77
BEZBENZOIC ACIDA,B2F780.77
BEZBENZOIC ACIDA,B2VL20.77
BEZBENZOIC ACIDA1HD20.77
BEZBENZOIC ACIDA1JU40.77
BEZBENZOIC ACIDH,L2AJY0.77
BEZBENZOIC ACIDA,B,C3GV10.77
BEZBENZOIC ACIDA2Q6U0.77
BEZBENZOIC ACIDA,B1VE90.77
BEZBENZOIC ACIDA,B1S9A0.77
BEZBENZOIC ACIDH,L,M1OP30.77
BEZBENZOIC ACIDA1W9E0.77
BEZBENZOIC ACIDA,B,C,D2V2G0.77
BEZBENZOIC ACIDH,L2AK10.77
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.77
BEZBENZOIC ACIDA,B1GYX0.77
BEZBENZOIC ACIDA1V1T0.77
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.77
BEZBENZOIC ACIDA,B1HKQ0.77
BEZBENZOIC ACIDH,L1RUK0.77
BEZBENZOIC ACIDA2Q1B0.77
BEZBENZOIC ACIDH,L1RUM0.77
BEZBENZOIC ACIDA,B2F7A0.77
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.77
BEZBENZOIC ACIDA,B2V7B0.77
BEZBENZOIC ACIDH1NCW0.77
BEZBENZOIC ACIDA,B1TMX0.77
BEZBENZOIC ACIDA1URM0.77
BEZBENZOIC ACIDA1W9O0.77
BEZBENZOIC ACIDA,B,C,D1GXS0.77
BEZBENZOIC ACIDH1RUP0.77
BEZBENZOIC ACIDA,B,C,D1KQB0.77
BEZBENZOIC ACIDA2Q9R0.77
BEZBENZOIC ACIDD,H2OK60.77
BEZBENZOIC ACIDA,B2Q0J0.77
HCIHYDROCINNAMIC ACIDA,B1BXG0.77
HCIHYDROCINNAMIC ACIDA,B1TOG0.77
HCIHYDROCINNAMIC ACIDA,B1V2F0.77
HCIHYDROCINNAMIC ACIDA,B1AHX0.77
HCIHYDROCINNAMIC ACIDA1TOI0.77
HCIHYDROCINNAMIC ACIDA,B1AY80.77
HCIHYDROCINNAMIC ACIDA1TOJ0.77
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.76
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.76
173BENZOYL-FORMIC ACIDA,B1SZE0.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.92
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.92
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.92
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.72
26CA,B2F7I0.75
PHTPHTHALIC ACIDA,B,C2B7P0.72
PHTPHTHALIC ACIDA3C2V0.72
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.72
PHTPHTHALIC ACIDA,B3C2R0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.77
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.77
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.77
PAC2-PHENYLACETIC ACIDB1PNL0.75
PAC2-PHENYLACETIC ACIDB1K5Q0.75
PAC2-PHENYLACETIC ACIDB1FXH0.75
PAC2-PHENYLACETIC ACIDA2ISF0.75
PAC2-PHENYLACETIC ACIDA2INE0.75
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.74
BFLA,B1Q4G0.7
5PV5-PHENYLVALERIC ACIDA,B2AY90.76
HC4A1TS60.76
HC4A3PHY0.76
HC4A3PYP0.76
HC4A1T1C0.76
HC4A1OT60.76
HC4A1TS00.76
HC4A1T1A0.76
HC4A2PYP0.76
HC4A2ZOI0.76
HC4A1OTI0.76
HC4A1XFQ0.76
HC4A2D010.76
HC4A,B,C,D,E,F,
G,H
2O7B0.76
HC4A2ZOH0.76
HC4A1GSW0.76
HC4A2QJ70.76
HC4A1F9I0.76
HC4X1UWP0.76
HC4A2PHY0.76
HC4A1T1B0.76
HC4A1F980.76
HC4A1T190.76
HC4X1UWN0.76
HC4A,B,C,D,E,F,
G,H
2O7F0.76
HC4A1UGU0.76
HC4A1TS80.76
HC4A,B1OTD0.76
HC4A1OTE0.76
HC4A1GSX0.76
HC4A1TS70.76
HC4A2PYR0.76
HC4A1S4S0.76
HC4A1GSV0.76
HC4A2I9V0.76
HC4A2QWS0.76
HC4A1XFN0.76
HC4A1S4R0.76
HC4A1T180.76
HC4A1OTA0.76
HC4A1D7E0.76
HC4A1S1Z0.76
HC4A,B,C1MZU0.76
HC4A,B1ODV0.76
HC4A,B2J3J0.76
HC4A2QJ50.76
HC4A1OTB0.76
HC4A2D020.76
HC4A1OT90.76
HC4A1NWZ0.76
HC4A1S1Y0.76
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.73
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.74
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.75
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.72
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.7
MBOMERCURIBENZOIC ACIDA2QO80.77
MBOMERCURIBENZOIC ACIDA1LUG0.77
MBOMERCURIBENZOIC ACIDA2HOC0.77
MBOMERCURIBENZOIC ACIDA3EFI0.77
MBOMERCURIBENZOIC ACIDA3BL00.77
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.77
MBOMERCURIBENZOIC ACIDA3CAJ0.77
MBOMERCURIBENZOIC ACIDA1DR70.77
MBOMERCURIBENZOIC ACIDA2HL40.77
MBOMERCURIBENZOIC ACIDA2GD80.77
MBOMERCURIBENZOIC ACIDA2QP60.77
MBOMERCURIBENZOIC ACIDA2HD60.77
MBOMERCURIBENZOIC ACIDA3C7P0.77
MBOMERCURIBENZOIC ACIDA,B2JHN0.77
MBOMERCURIBENZOIC ACIDA1DR60.77
MBOMERCURIBENZOIC ACIDA2HNC0.77
MBOMERCURIBENZOIC ACIDA2QOA0.77
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.71
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.76
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.76
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.76
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.76
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.76
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.76
4MA4-METHYLBENZOIC ACIDA,H2HRG0.78
FBCA,B2B9A0.75
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.71
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.77
CLT4-PHENYL-BUTANOIC ACIDA1THL0.76
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.76
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.76
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.77