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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02347221

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.71
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.72
BZQDIPHENYLMETHANONEA,B1GT50.83
BZQDIPHENYLMETHANONEA,B1DZP0.83
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.78
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.7
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.74
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.78
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.72
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.72
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.72
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.72
BDBA,B1KE30.73
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.82
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.82
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.82
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.82
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
1QZV0.82
HCIHYDROCINNAMIC ACIDA,B1BXG0.7
HCIHYDROCINNAMIC ACIDA,B1TOG0.7
HCIHYDROCINNAMIC ACIDA,B1V2F0.7
HCIHYDROCINNAMIC ACIDA,B1AHX0.7
HCIHYDROCINNAMIC ACIDA1TOI0.7
HCIHYDROCINNAMIC ACIDA,B1AY80.7
HCIHYDROCINNAMIC ACIDA1TOJ0.7
PHMPHENYLALANYLMETHANEA,I1PJP0.71
PHMPHENYLALANYLMETHANEA,B,C2J9J0.71
PHMPHENYLALANYLMETHANEA,B,C2JE40.71
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.72
FLPFLURBIPROFENA,B,C,D3PGH0.74
FLPFLURBIPROFENA,B1CQE0.74
FLPFLURBIPROFENA,B1EQH0.74
FLPFLURBIPROFENA,B2AYL0.74
FLPFLURBIPROFENA1DVT0.74
FLPFLURBIPROFENA1R9O0.74
I4BISOBUTYLBENZENEA184L0.74
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.7
HBXbenzaldehydeA,B3GDN0.71
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.74
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.74
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.73
IBPIBUPROFENA3FKX0.77
IBPIBUPROFENA,B2BXG0.77
IBPIBUPROFENA,B1EQG0.77
IBPIBUPROFENA,B,C2WD90.77
IBPIBUPROFENA2PWS0.77
N4BN-BUTYLBENZENEA186L0.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.74
TRZTRAZEOLIDEA1C120.72
PXYPARA-XYLENEA187L0.71
PXYPARA-XYLENEA225L0.71
3PL3-PHENYLPROPANALE1Y3G0.78
AC01-PHENYLETHANONEA1ZK10.81
AC01-PHENYLETHANONEA1ZK40.81
MQ8MENAQUINONE 8C,H,L,M1EYS0.8
BFLA,B1Q4G0.77
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.76
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.74
ANQACENAPHTHENEQUINONEH,J1OAX0.72
DFADIPHENYLACETIC ACIDA,B,C1GMY0.75
VK3MENADIONEA1TUV0.78
VK3MENADIONEA,B2QR20.78
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.72
PAC2-PHENYLACETIC ACIDB1PNL0.7
PAC2-PHENYLACETIC ACIDB1K5Q0.7
PAC2-PHENYLACETIC ACIDB1FXH0.7
PAC2-PHENYLACETIC ACIDA2ISF0.7
PAC2-PHENYLACETIC ACIDA2INE0.7
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
MQ9MENAQUINONE-9C,H,L,M3D380.8
MQ9MENAQUINONE-9C,H,L,M1VRN0.8
MQ9MENAQUINONE-9C,H,L,M2I5N0.8
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.8
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.85
FPRPROPYLBENZENEC1RHK0.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.72
1LPTRANYLCYPROMINEA,B1OJB0.84
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.71
MQ7MENAQUINONE-7C,H,L,M1PRC0.8
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.8
MQ7MENAQUINONE-7C,H,L,M5PRC0.8
MQ7MENAQUINONE-7C,H,L,M7PRC0.8
MQ7MENAQUINONE-7C,H,L,M2PRC0.8
MQ7MENAQUINONE-7C,H,L,M1R2C0.8
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.8
MQ7MENAQUINONE-7C,H,L,M3PRC0.8
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.8
MQ7MENAQUINONE-7C,H,L,M2JBL0.8
MQ7MENAQUINONE-7C,H,L,M6PRC0.8
HY1PHENYLACETALDEHYDED,H2I0S0.79
HY1PHENYLACETALDEHYDEA,B1D6Y0.79
HY1PHENYLACETALDEHYDEA,B1D6Z0.79
HY1PHENYLACETALDEHYDED,H2OK40.79
HY1PHENYLACETALDEHYDEA,B1D6U0.79
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.84