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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02819324

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID		A,B1KYN0.76
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.71
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.71
FLPFLURBIPROFENA,B,C,D3PGH0.72
FLPFLURBIPROFENA,B1CQE0.72
FLPFLURBIPROFENA,B1EQH0.72
FLPFLURBIPROFENA,B2AYL0.72
FLPFLURBIPROFENA1DVT0.72
FLPFLURBIPROFENA1R9O0.72
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.74
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE		A6UPJ0.71
VK3MENADIONEA1TUV0.83
VK3MENADIONEA,B2QR20.83
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID		A1FCY0.7
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.73
MQ8MENAQUINONE 8C,H,L,M1EYS0.85
PHTPHTHALIC ACIDA,B,C2B7P0.71
PHTPHTHALIC ACIDA3C2V0.71
PHTPHTHALIC ACIDA,B,C,D,E,F1QPR0.71
PHTPHTHALIC ACIDA,B3C2R0.71
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.7
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID		A2CBS0.7
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.73
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.73
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.73
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID		A,B,C1R5K0.76
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.73
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.73
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.73
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.73
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.73
MQ9MENAQUINONE-9C,H,L,M3D380.85
MQ9MENAQUINONE-9C,H,L,M1VRN0.85
MQ9MENAQUINONE-9C,H,L,M2I5N0.85
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.85
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID		A1FCZ0.74
5PV5-PHENYLVALERIC ACIDA,B2AY90.73
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID		A1NQ70.71
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.81
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.84
4MA4-METHYLBENZOIC ACIDA,H2HRG0.71
AC01-PHENYLETHANONEA1ZK10.85
AC01-PHENYLETHANONEA1ZK40.85
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.73
BDBA,B1KE30.72
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.81
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE		H1JGU0.73
HY1PHENYLACETALDEHYDED,H2I0S0.72
HY1PHENYLACETALDEHYDEA,B1D6Y0.72
HY1PHENYLACETALDEHYDEA,B1D6Z0.72
HY1PHENYLACETALDEHYDED,H2OK40.72
HY1PHENYLACETALDEHYDEA,B1D6U0.72
MQ7MENAQUINONE-7C,H,L,M1PRC0.85
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.85
MQ7MENAQUINONE-7C,H,L,M5PRC0.85
MQ7MENAQUINONE-7C,H,L,M7PRC0.85
MQ7MENAQUINONE-7C,H,L,M2PRC0.85
MQ7MENAQUINONE-7C,H,L,M1R2C0.85
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.85
MQ7MENAQUINONE-7C,H,L,M3PRC0.85
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.85
MQ7MENAQUINONE-7C,H,L,M2JBL0.85
MQ7MENAQUINONE-7C,H,L,M6PRC0.85
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.81
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.72
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.72
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE		B1O1S0.73
IBPIBUPROFENA3FKX0.72
IBPIBUPROFENA,B2BXG0.72
IBPIBUPROFENA,B1EQG0.72
IBPIBUPROFENA,B,C2WD90.72
IBPIBUPROFENA2PWS0.72
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.71
HCIHYDROCINNAMIC ACIDA,B1BXG0.72
HCIHYDROCINNAMIC ACIDA,B1TOG0.72
HCIHYDROCINNAMIC ACIDA,B1V2F0.72
HCIHYDROCINNAMIC ACIDA,B1AHX0.72
HCIHYDROCINNAMIC ACIDA1TOI0.72
HCIHYDROCINNAMIC ACIDA,B1AY80.72
HCIHYDROCINNAMIC ACIDA1TOJ0.72
BZQDIPHENYLMETHANONEA,B1GT50.88
BZQDIPHENYLMETHANONEA,B1DZP0.88
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.71
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.71
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.72
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.86
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.7
DFADIPHENYLACETIC ACIDA,B,C1GMY0.74
4FCA1YSG0.72
HBXbenzaldehydeA,B3GDN0.74
3PL3-PHENYLPROPANALE1Y3G0.7
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid		A2RHW0.78
1LPTRANYLCYPROMINEA,B1OJB0.72
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.84
FBCA,B2B9A0.72
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.71
ANQACENAPHTHENEQUINONEH,J1OAX0.77
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.71
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.76
825[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acidA3CWE0.71
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE		B5UPJ0.71
OSB2-SUCCINYLBENZOATEA1FHV0.75
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.75
OSB2-SUCCINYLBENZOATEA,B2QVH0.75
TRZTRAZEOLIDEA1C120.74
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H		2O780.7
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.85
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.85
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.85
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.85
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z		1QZV0.85
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid		A2RHT0.78
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.75
CLT4-PHENYL-BUTANOIC ACIDA1THL0.71
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.71
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.71
BFLA,B1Q4G0.74
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.83
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.72
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.72
BZSL-BENZYLSUCCINIC ACIDA1CBX0.72
BZSL-BENZYLSUCCINIC ACIDA1HYT0.72
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.72
26CA,B2F7I0.72
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.74
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.75