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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03205537

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.71
825[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acidA3CWE0.73
173BENZOYL-FORMIC ACIDA,B1SZE0.73
1LPTRANYLCYPROMINEA,B1OJB0.76
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.81
ANQACENAPHTHENEQUINONEH,J1OAX0.79
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.8
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.83
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.83
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.83
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.83
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
1QZV0.83
FLPFLURBIPROFENA,B,C,D3PGH0.74
FLPFLURBIPROFENA,B1CQE0.74
FLPFLURBIPROFENA,B1EQH0.74
FLPFLURBIPROFENA,B2AYL0.74
FLPFLURBIPROFENA1DVT0.74
FLPFLURBIPROFENA1R9O0.74
BZQDIPHENYLMETHANONEA,B1GT50.94
BZQDIPHENYLMETHANONEA,B1DZP0.94
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.71
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.84
DFADIPHENYLACETIC ACIDA,B,C1GMY0.71
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.85
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.72
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.75
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.75
MQ8MENAQUINONE 8C,H,L,M1EYS0.83
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.91
HPX(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A,B,C,D2DSA0.74
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.76
26CA,B2F7I0.74
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.71
VK3MENADIONEA1TUV0.84
VK3MENADIONEA,B2QR20.84
HPZ(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-
2,4-DIENOIC ACID
A2PUJ0.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.79
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.79
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.79
BFLA,B1Q4G0.73
KTP(2-NAPHTHALEN-2-YL-1-NAPHTHALEN-
1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID
A,B1KYN0.75
4FCA1YSG0.74
AC01-PHENYLETHANONEA1ZK10.9
AC01-PHENYLETHANONEA1ZK40.9
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
HY1PHENYLACETALDEHYDED,H2I0S0.76
HY1PHENYLACETALDEHYDEA,B1D6Y0.76
HY1PHENYLACETALDEHYDEA,B1D6Z0.76
HY1PHENYLACETALDEHYDED,H2OK40.76
HY1PHENYLACETALDEHYDEA,B1D6U0.76
3PL3-PHENYLPROPANALE1Y3G0.75
C0E3-fluoro-6-(4-fluorophenyl)-2-hydroxy-
6-oxohexa-2,4-dienoic acid
A2RHW0.74
MQ7MENAQUINONE-7C,H,L,M1PRC0.83
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.83
MQ7MENAQUINONE-7C,H,L,M5PRC0.83
MQ7MENAQUINONE-7C,H,L,M7PRC0.83
MQ7MENAQUINONE-7C,H,L,M2PRC0.83
MQ7MENAQUINONE-7C,H,L,M1R2C0.83
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.83
MQ7MENAQUINONE-7C,H,L,M3PRC0.83
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.83
MQ7MENAQUINONE-7C,H,L,M2JBL0.83
MQ7MENAQUINONE-7C,H,L,M6PRC0.83
FBCA,B2B9A0.74
HBXbenzaldehydeA,B3GDN0.78
MQ9MENAQUINONE-9C,H,L,M3D380.83
MQ9MENAQUINONE-9C,H,L,M1VRN0.83
MQ9MENAQUINONE-9C,H,L,M2I5N0.83
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.83
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.72