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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02378886

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
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.78
825[{2-bromo-4-[(2R)-3-oxo-2,3-diphenylpropyl]phenyl}(difluoro)methyl]phosphonic acidA3CWE0.73
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.7
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.7
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.7
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.7
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.81
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.81
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.81
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.81
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
1QZV0.81
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.79
HY1PHENYLACETALDEHYDED,H2I0S0.74
HY1PHENYLACETALDEHYDEA,B1D6Y0.74
HY1PHENYLACETALDEHYDEA,B1D6Z0.74
HY1PHENYLACETALDEHYDED,H2OK40.74
HY1PHENYLACETALDEHYDEA,B1D6U0.74
ANQACENAPHTHENEQUINONEH,J1OAX0.8
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.73
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.73
BDBA,B1KE30.72
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.8
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.85
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.7
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.74
DFADIPHENYLACETIC ACIDA,B,C1GMY0.74
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.79
MQ7MENAQUINONE-7C,H,L,M1PRC0.79
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.79
MQ7MENAQUINONE-7C,H,L,M5PRC0.79
MQ7MENAQUINONE-7C,H,L,M7PRC0.79
MQ7MENAQUINONE-7C,H,L,M2PRC0.79
MQ7MENAQUINONE-7C,H,L,M1R2C0.79
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.79
MQ7MENAQUINONE-7C,H,L,M3PRC0.79
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.79
MQ7MENAQUINONE-7C,H,L,M2JBL0.79
MQ7MENAQUINONE-7C,H,L,M6PRC0.79
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
1LPTRANYLCYPROMINEA,B1OJB0.77
AC01-PHENYLETHANONEA1ZK10.79
AC01-PHENYLETHANONEA1ZK40.79
BZQDIPHENYLMETHANONEA,B1GT50.85
BZQDIPHENYLMETHANONEA,B1DZP0.85
MQ9MENAQUINONE-9C,H,L,M3D380.79
MQ9MENAQUINONE-9C,H,L,M1VRN0.79
MQ9MENAQUINONE-9C,H,L,M2I5N0.79
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.79
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.72
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.74
VK3MENADIONEA1TUV0.78
VK3MENADIONEA,B2QR20.78
3PL3-PHENYLPROPANALE1Y3G0.73
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.7
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.7
BFLA,B1Q4G0.73
MQ8MENAQUINONE 8C,H,L,M1EYS0.79
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.72
HBXbenzaldehydeA,B3GDN0.7
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.72