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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03121538

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
825[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acidA3CWE0.75
BFLA,B1Q4G0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.73
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.7
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.7
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.7
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.7
R01(4'-{[ALLYL(METHYL)AMINO]METHYL}-
1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE		A,B,C1H350.73
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID		A1FCY0.72
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid		A2RHW0.71
HY1PHENYLACETALDEHYDED,H2I0S0.74
HY1PHENYLACETALDEHYDEA,B1D6Y0.74
HY1PHENYLACETALDEHYDEA,B1D6Z0.74
HY1PHENYLACETALDEHYDED,H2OK40.74
HY1PHENYLACETALDEHYDEA,B1D6U0.74
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.8
MQ8MENAQUINONE 8C,H,L,M1EYS0.85
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.71
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE		B1O1S0.7
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
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.77
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.77
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.77
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID		A,B1KYN0.8
BDBA,B1KE30.7
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
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.84
HBXbenzaldehydeA,B3GDN0.76
DFADIPHENYLACETIC ACIDA,B,C1GMY0.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.7
ANQACENAPHTHENEQUINONEH,J1OAX0.82
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID		A1XAP0.72
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide		A,B3D4L0.71
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE		H1JGU0.79
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.71
AC01-PHENYLETHANONEA1ZK10.88
AC01-PHENYLETHANONEA1ZK40.88
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A,B,C,D2DSA0.74
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.72
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.77
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.72
VK3MENADIONEA1TUV0.84
VK3MENADIONEA,B2QR20.84
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID		A2PUJ0.74
3PL3-PHENYLPROPANALE1Y3G0.73
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID		A,B,C1R5K0.78
BZQDIPHENYLMETHANONEA,B1GT50.91
BZQDIPHENYLMETHANONEA,B1DZP0.91
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid		A2RHT0.72
1LPTRANYLCYPROMINEA,B1OJB0.75
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.89
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID		A,B2GH50.77
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
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.72
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.9