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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02863891

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.7
FPRPROPYLBENZENEC1RHK0.75
BFLA,B1Q4G0.71
OXEORTHO-XYLENEA,B3E0X0.73
OXEORTHO-XYLENEA188L0.73
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.74
I4BISOBUTYLBENZENEA184L0.78
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.72
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.77
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.77
MBNTOLUENEA,B3D7O0.72
MBNTOLUENEA,B1R1X0.72
MBNTOLUENEA,B1JLX0.72
MBNTOLUENEA,B,C,D3D170.72
MBNTOLUENEA,B2VRL0.72
MBNTOLUENEA,I2Z3E0.72
MBNTOLUENEA,B1YZI0.72
MBNTOLUENEA,B2DN10.72
MBNTOLUENEA,B3EN10.72
HCIHYDROCINNAMIC ACIDA,B1BXG0.74
HCIHYDROCINNAMIC ACIDA,B1TOG0.74
HCIHYDROCINNAMIC ACIDA,B1V2F0.74
HCIHYDROCINNAMIC ACIDA,B1AHX0.74
HCIHYDROCINNAMIC ACIDA1TOI0.74
HCIHYDROCINNAMIC ACIDA,B1AY80.74
HCIHYDROCINNAMIC ACIDA1TOJ0.74
CLT4-PHENYL-BUTANOIC ACIDA1THL0.73
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.73
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.73
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.71
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.71
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.71
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.71
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
1QZV0.71
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.75
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.73
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.73
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
PHMPHENYLALANYLMETHANEA,I1PJP0.71
PHMPHENYLALANYLMETHANEA,B,C2J9J0.71
PHMPHENYLALANYLMETHANEA,B,C2JE40.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.72
5PV5-PHENYLVALERIC ACIDA,B2AY90.75
PXYPARA-XYLENEA187L0.73
PXYPARA-XYLENEA225L0.73
3PL3-PHENYLPROPANALE1Y3G0.82
IBPIBUPROFENA3FKX0.72
IBPIBUPROFENA,B2BXG0.72
IBPIBUPROFENA,B1EQG0.72
IBPIBUPROFENA,B,C2WD90.72
IBPIBUPROFENA2PWS0.72
BZQDIPHENYLMETHANONEA,B1GT50.76
BZQDIPHENYLMETHANONEA,B1DZP0.76
1LPTRANYLCYPROMINEA,B1OJB0.83
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.78
PYLPHENYLETHANEC1B070.75
PYLPHENYLETHANEA,B2VRM0.75
PYLPHENYLETHANEA1NHB0.75
N4BN-BUTYLBENZENEA186L0.75
AC01-PHENYLETHANONEA1ZK10.79
AC01-PHENYLETHANONEA1ZK40.79
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.77
HY1PHENYLACETALDEHYDED,H2I0S0.81
HY1PHENYLACETALDEHYDEA,B1D6Y0.81
HY1PHENYLACETALDEHYDEA,B1D6Z0.81
HY1PHENYLACETALDEHYDED,H2OK40.81
HY1PHENYLACETALDEHYDEA,B1D6U0.81
HBXbenzaldehydeA,B3GDN0.72
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.7
BZSL-BENZYLSUCCINIC ACIDA1CBX0.72
BZSL-BENZYLSUCCINIC ACIDA1HYT0.72
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.72
VK3MENADIONEA1TUV0.72
VK3MENADIONEA,B2QR20.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.7