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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049742

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.7
BZQDIPHENYLMETHANONEA,B1GT50.83
BZQDIPHENYLMETHANONEA,B1DZP0.83
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.73
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.78
3PL3-PHENYLPROPANALE1Y3G0.76
MQ9MENAQUINONE-9C,H,L,M3D380.78
MQ9MENAQUINONE-9C,H,L,M1VRN0.78
MQ9MENAQUINONE-9C,H,L,M2I5N0.78
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.78
7912-PHENYLMALONIC ACIDA1O4P0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.73
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.72
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.72
BDBA,B1KE30.75
AC01-PHENYLETHANONEA1ZK10.77
AC01-PHENYLETHANONEA1ZK40.77
MQ7MENAQUINONE-7C,H,L,M1PRC0.78
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.78
MQ7MENAQUINONE-7C,H,L,M5PRC0.78
MQ7MENAQUINONE-7C,H,L,M7PRC0.78
MQ7MENAQUINONE-7C,H,L,M2PRC0.78
MQ7MENAQUINONE-7C,H,L,M1R2C0.78
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.78
MQ7MENAQUINONE-7C,H,L,M3PRC0.78
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.78
MQ7MENAQUINONE-7C,H,L,M2JBL0.78
MQ7MENAQUINONE-7C,H,L,M6PRC0.78
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.73
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.73
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.73
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.73
1LPTRANYLCYPROMINEA,B1OJB0.8
BZSL-BENZYLSUCCINIC ACIDA1CBX0.71
BZSL-BENZYLSUCCINIC ACIDA1HYT0.71
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.71
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.74
ANQACENAPHTHENEQUINONEH,J1OAX0.8
HY1PHENYLACETALDEHYDED,H2I0S0.77
HY1PHENYLACETALDEHYDEA,B1D6Y0.77
HY1PHENYLACETALDEHYDEA,B1D6Z0.77
HY1PHENYLACETALDEHYDED,H2OK40.77
HY1PHENYLACETALDEHYDEA,B1D6U0.77
CLT4-PHENYL-BUTANOIC ACIDA1THL0.7
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.7
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.7
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.8
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.8
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.8
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.8
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
1QZV0.8
MQ8MENAQUINONE 8C,H,L,M1EYS0.78
FLPFLURBIPROFENA,B,C,D3PGH0.73
FLPFLURBIPROFENA,B1CQE0.73
FLPFLURBIPROFENA,B1EQH0.73
FLPFLURBIPROFENA,B2AYL0.73
FLPFLURBIPROFENA1DVT0.73
FLPFLURBIPROFENA1R9O0.73
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.82
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.75
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.73
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.77
VK3MENADIONEA1TUV0.78
VK3MENADIONEA,B2QR20.78
PAC2-PHENYLACETIC ACIDB1PNL0.7
PAC2-PHENYLACETIC ACIDB1K5Q0.7
PAC2-PHENYLACETIC ACIDB1FXH0.7
PAC2-PHENYLACETIC ACIDA2ISF0.7
PAC2-PHENYLACETIC ACIDA2INE0.7
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.7
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.7
DFADIPHENYLACETIC ACIDA,B,C1GMY0.77
HCIHYDROCINNAMIC ACIDA,B1BXG0.71
HCIHYDROCINNAMIC ACIDA,B1TOG0.71
HCIHYDROCINNAMIC ACIDA,B1V2F0.71
HCIHYDROCINNAMIC ACIDA,B1AHX0.71
HCIHYDROCINNAMIC ACIDA1TOI0.71
HCIHYDROCINNAMIC ACIDA,B1AY80.71
HCIHYDROCINNAMIC ACIDA1TOJ0.71
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.82
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.7
BFLA,B1Q4G0.75
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.72