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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02499769

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid		C,F,M,N2IAE0.7
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.72
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.72
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.73
HY1PHENYLACETALDEHYDED,H2I0S0.73
HY1PHENYLACETALDEHYDEA,B1D6Y0.73
HY1PHENYLACETALDEHYDEA,B1D6Z0.73
HY1PHENYLACETALDEHYDED,H2OK40.73
HY1PHENYLACETALDEHYDEA,B1D6U0.73
OSTMETHYL (2Z)-3-METHOXY-2-{2-[(E)-
2-PHENYLVINYL]PHENYL}ACRYLATE		C,D,E1SQQ0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.75
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.75
I4BISOBUTYLBENZENEA184L0.72
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.75
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.77
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.77
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.77
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.77
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.77
173BENZOYL-FORMIC ACIDA,B1SZE0.7
OXEORTHO-XYLENEA,B3E0X0.7
OXEORTHO-XYLENEA188L0.7
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.77
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.73
FPRPROPYLBENZENEC1RHK0.72
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.74
HCIHYDROCINNAMIC ACIDA,B1BXG0.77
HCIHYDROCINNAMIC ACIDA,B1TOG0.77
HCIHYDROCINNAMIC ACIDA,B1V2F0.77
HCIHYDROCINNAMIC ACIDA,B1AHX0.77
HCIHYDROCINNAMIC ACIDA1TOI0.77
HCIHYDROCINNAMIC ACIDA,B1AY80.77
HCIHYDROCINNAMIC ACIDA1TOJ0.77
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.73
AC01-PHENYLETHANONEA1ZK10.74
AC01-PHENYLETHANONEA1ZK40.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		1VQ60.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQP0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z		1VQN0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.72
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.72
PAC2-PHENYLACETIC ACIDB1PNL0.75
PAC2-PHENYLACETIC ACIDB1K5Q0.75
PAC2-PHENYLACETIC ACIDB1FXH0.75
PAC2-PHENYLACETIC ACIDA2ISF0.75
PAC2-PHENYLACETIC ACIDA2INE0.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.76
BZSL-BENZYLSUCCINIC ACIDA1CBX0.73
BZSL-BENZYLSUCCINIC ACIDA1HYT0.73
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.73
7912-PHENYLMALONIC ACIDA1O4P0.76
BFLA,B1Q4G0.72
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.75
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID		A1AY30.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.73
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.73
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H		2O780.73
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.79
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.79
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.79
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.79
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.79
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.79
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE		A1CPS0.71
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.73
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
IBPIBUPROFENA3FKX0.76
IBPIBUPROFENA,B2BXG0.76
IBPIBUPROFENA,B1EQG0.76
IBPIBUPROFENA,B,C2WD90.76
IBPIBUPROFENA2PWS0.76
N4BN-BUTYLBENZENEA186L0.72
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.73
1LPTRANYLCYPROMINEA,B1OJB0.74
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
3PL3-PHENYLPROPANALE1Y3G0.74
CLT4-PHENYL-BUTANOIC ACIDA1THL0.76
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.76
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.76
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID		A1NQ70.72