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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02854974

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANQACENAPHTHENEQUINONEH,J1OAX0.71
AC01-PHENYLETHANONEA1ZK10.86
AC01-PHENYLETHANONEA1ZK40.86
VK3MENADIONEA1TUV0.8
VK3MENADIONEA,B2QR20.8
BZQDIPHENYLMETHANONEA,B1GT50.82
BZQDIPHENYLMETHANONEA,B1DZP0.82
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.77
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.87
BDBA,B1KE30.74
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X
1JB00.79
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L
2O010.79
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.79
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.79
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
1QZV0.79
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.81
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.74
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.74
I4BISOBUTYLBENZENEA184L0.77
CLT4-PHENYL-BUTANOIC ACIDA1THL0.75
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.75
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.77
7912-PHENYLMALONIC ACIDA1O4P0.7
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.71
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.72
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
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.77
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.73
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.7
PXYPARA-XYLENEA187L0.75
PXYPARA-XYLENEA225L0.75
PHMPHENYLALANYLMETHANEA,I1PJP0.76
PHMPHENYLALANYLMETHANEA,B,C2J9J0.76
PHMPHENYLALANYLMETHANEA,B,C2JE40.76
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.77
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.75
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.75
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.75
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.75
DENINDENEA183L0.72
FPRPROPYLBENZENEC1RHK0.77
MBNTOLUENEA,B3D7O0.74
MBNTOLUENEA,B1R1X0.74
MBNTOLUENEA,B1JLX0.74
MBNTOLUENEA,B,C,D3D170.74
MBNTOLUENEA,B2VRL0.74
MBNTOLUENEA,I2Z3E0.74
MBNTOLUENEA,B1YZI0.74
MBNTOLUENEA,B2DN10.74
MBNTOLUENEA,B3EN10.74
OXEORTHO-XYLENEA,B3E0X0.77
OXEORTHO-XYLENEA188L0.77
HBXbenzaldehydeA,B3GDN0.74
1LPTRANYLCYPROMINEA,B1OJB0.86
PAC2-PHENYLACETIC ACIDB1PNL0.73
PAC2-PHENYLACETIC ACIDB1K5Q0.73
PAC2-PHENYLACETIC ACIDB1FXH0.73
PAC2-PHENYLACETIC ACIDA2ISF0.73
PAC2-PHENYLACETIC ACIDA2INE0.73
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
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.73
BFLA,B1Q4G0.72
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.75
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.74
HY1PHENYLACETALDEHYDED,H2I0S0.83
HY1PHENYLACETALDEHYDEA,B1D6Y0.83
HY1PHENYLACETALDEHYDEA,B1D6Z0.83
HY1PHENYLACETALDEHYDED,H2OK40.83
HY1PHENYLACETALDEHYDEA,B1D6U0.83
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
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.8
HCIHYDROCINNAMIC ACIDA,B1BXG0.76
HCIHYDROCINNAMIC ACIDA,B1TOG0.76
HCIHYDROCINNAMIC ACIDA,B1V2F0.76
HCIHYDROCINNAMIC ACIDA,B1AHX0.76
HCIHYDROCINNAMIC ACIDA1TOI0.76
HCIHYDROCINNAMIC ACIDA,B1AY80.76
HCIHYDROCINNAMIC ACIDA1TOJ0.76
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
IBPIBUPROFENA3FKX0.76
IBPIBUPROFENA,B2BXG0.76
IBPIBUPROFENA,B1EQG0.76
IBPIBUPROFENA,B,C2WD90.76
IBPIBUPROFENA2PWS0.76
MQ8MENAQUINONE 8C,H,L,M1EYS0.79
N4BN-BUTYLBENZENEA186L0.77
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.76
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.71
PYLPHENYLETHANEC1B070.77
PYLPHENYLETHANEA,B2VRM0.77
PYLPHENYLETHANEA1NHB0.77
3PL3-PHENYLPROPANALE1Y3G0.84
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.75
BZSL-BENZYLSUCCINIC ACIDA1CBX0.72
BZSL-BENZYLSUCCINIC ACIDA1HYT0.72
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.72
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.79