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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01819381

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
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.72
HY1PHENYLACETALDEHYDED,H2I0S0.73
HY1PHENYLACETALDEHYDEA,B1D6Y0.73
HY1PHENYLACETALDEHYDEA,B1D6Z0.73
HY1PHENYLACETALDEHYDED,H2OK40.73
HY1PHENYLACETALDEHYDEA,B1D6U0.73
MQ8MENAQUINONE 8C,H,L,M1EYS0.84
FLPFLURBIPROFENA,B,C,D3PGH0.72
FLPFLURBIPROFENA,B1CQE0.72
FLPFLURBIPROFENA,B1EQH0.72
FLPFLURBIPROFENA,B2AYL0.72
FLPFLURBIPROFENA1DVT0.72
FLPFLURBIPROFENA1R9O0.72
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.87
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.87
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.87
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.87
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
1QZV0.87
VK3MENADIONEA1TUV0.83
VK3MENADIONEA,B2QR20.83
ANQACENAPHTHENEQUINONEH,J1OAX0.79
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.78
BZQDIPHENYLMETHANONEA,B1GT50.9
BZQDIPHENYLMETHANONEA,B1DZP0.9
MQ7MENAQUINONE-7C,H,L,M1PRC0.84
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.84
MQ7MENAQUINONE-7C,H,L,M5PRC0.84
MQ7MENAQUINONE-7C,H,L,M7PRC0.84
MQ7MENAQUINONE-7C,H,L,M2PRC0.84
MQ7MENAQUINONE-7C,H,L,M1R2C0.84
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.84
MQ7MENAQUINONE-7C,H,L,M3PRC0.84
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.84
MQ7MENAQUINONE-7C,H,L,M2JBL0.84
MQ7MENAQUINONE-7C,H,L,M6PRC0.84
173BENZOYL-FORMIC ACIDA,B1SZE0.7
TTB4-[(1E)-2-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)PROP-1-ENYL]BENZOIC ACID
A1XAP0.7
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.8
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.71
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.84
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.76
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.9
MQ9MENAQUINONE-9C,H,L,M3D380.84
MQ9MENAQUINONE-9C,H,L,M1VRN0.84
MQ9MENAQUINONE-9C,H,L,M2I5N0.84
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.84
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.73
IBPIBUPROFENA3FKX0.72
IBPIBUPROFENA,B2BXG0.72
IBPIBUPROFENA,B1EQG0.72
IBPIBUPROFENA,B,C2WD90.72
IBPIBUPROFENA2PWS0.72
HBXbenzaldehydeA,B3GDN0.76
825[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acidA3CWE0.72
TRZTRAZEOLIDEA1C120.72
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.72
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE
C,D,E1SQQ0.71
1LPTRANYLCYPROMINEA,B1OJB0.78
AC01-PHENYLETHANONEA1ZK10.87
AC01-PHENYLETHANONEA1ZK40.87
3PL3-PHENYLPROPANALE1Y3G0.72
4FCA1YSG0.7
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.77
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
R01(4'-{[ALLYL(METHYL)AMINO]METHYL}-
1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE
A,B,C1H350.71
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.76
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.76
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.76
BFLA,B1Q4G0.74
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.83
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.72