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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03272389

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBPIBUPROFENA3FKX0.73
IBPIBUPROFENA,B2BXG0.73
IBPIBUPROFENA,B1EQG0.73
IBPIBUPROFENA,B,C2WD90.73
IBPIBUPROFENA2PWS0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
OBZO-benzylhydroxylamineA,B3DTH0.71
OBZO-benzylhydroxylamineA,B3DTG0.71
1LPTRANYLCYPROMINEA,B1OJB0.71
5PV5-PHENYLVALERIC ACIDA,B2AY90.7
I4BISOBUTYLBENZENEA184L0.77
RSOR-STYRENE OXIDEA,B1PWZ0.73
FPRPROPYLBENZENEC1RHK0.74
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
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
OXEORTHO-XYLENEA,B3E0X0.74
OXEORTHO-XYLENEA188L0.74
B28A,B2E9A0.7
SS11-PHENYLETHANOLH1UM50.73
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.73
CLT4-PHENYL-BUTANOIC ACIDA1THL0.7
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.7
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.7
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
PEL2-PHENYL-ETHANOLA,B1I0D0.76
PEL2-PHENYL-ETHANOLD,H2I0T0.76
PEL2-PHENYL-ETHANOLA,B1HZY0.76
PEL2-PHENYL-ETHANOLA,B1I0B0.76
PEL2-PHENYL-ETHANOLA1EYW0.76
PEL2-PHENYL-ETHANOLA,B1JGM0.76
PXYPARA-XYLENEA187L0.74
PXYPARA-XYLENEA225L0.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.72
MBNTOLUENEA,B3D7O0.71
MBNTOLUENEA,B1R1X0.71
MBNTOLUENEA,B1JLX0.71
MBNTOLUENEA,B,C,D3D170.71
MBNTOLUENEA,B2VRL0.71
MBNTOLUENEA,I2Z3E0.71
MBNTOLUENEA,B1YZI0.71
MBNTOLUENEA,B2DN10.71
MBNTOLUENEA,B3EN10.71
N4BN-BUTYLBENZENEA186L0.74
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.79
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.79
12M(2-ETHYLPHENYL)METHANOLA,B2F620.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
BDBA,B1KE30.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.71
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.73
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.73
SS2(1R)-1-PHENYLETHANOLA1ZJY0.73
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.72
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.72