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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02225639

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DSGD-ASPARAGINEA,B2Q330.88
DSGD-ASPARAGINEA2IH00.88
DSGD-ASPARAGINEA2JUE0.88
DSGD-ASPARAGINEA1A850.88
DSGD-ASPARAGINEA1T5N0.88
DSGD-ASPARAGINEA2IGZ0.88
DSGD-ASPARAGINEA,B,C,D3BOG0.88
DSGD-ASPARAGINEA1T5M0.88
DSGD-ASPARAGINEA,B1HXB0.88
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.79
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.79
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.79
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.79
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.79
OBF(2S)-2-amino-4,4-difluorobutanoic acidA,B2K1Q0.78
FLATRIFLUOROALANINEA1C0L0.73
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.74
DAB2,4-DIAMINOBUTYRIC ACIDA,B,C,D1J730.78
DAB2,4-DIAMINOBUTYRIC ACIDA1JDK0.78
DAB2,4-DIAMINOBUTYRIC ACIDA,B,C,D3D3S0.78
DAB2,4-DIAMINOBUTYRIC ACIDA,B3DS90.78
DAB2,4-DIAMINOBUTYRIC ACIDA1J9V0.78
DAB2,4-DIAMINOBUTYRIC ACIDA2PM10.78
DAB2,4-DIAMINOBUTYRIC ACIDA1JAR0.78
DAB2,4-DIAMINOBUTYRIC ACIDA,B1B4H0.78
DASD-ASPARTIC ACIDA1BFW0.71
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5D0.71
DASD-ASPARTIC ACIDA1KS70.71
DASD-ASPARTIC ACIDA1C4B0.71
DASD-ASPARTIC ACIDA,B,C,D3BOG0.71
DASD-ASPARTIC ACIDA,L1ZEA0.71
DASD-ASPARTIC ACIDA,B,C,D1HG10.71
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5B0.71
DASD-ASPARTIC ACIDA,B2Q330.71
DASD-ASPARTIC ACIDE1AN10.71
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.79
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1GH00.79
MENN-METHYL ASPARAGINEA,B,C,D1XF60.79
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.79
MENN-METHYL ASPARAGINEA,B1I7Y0.79
MENN-METHYL ASPARAGINEA,B3BRP0.79
MENN-METHYL ASPARAGINEA,B1JBO0.79
MENN-METHYL ASPARAGINEA,B1ALL0.79
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.79
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1HA70.79
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.79
MENN-METHYL ASPARAGINEA,B1KTP0.79
MENN-METHYL ASPARAGINEA,B1PHN0.79
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.79
MENN-METHYL ASPARAGINEA,B,C,D1XG00.79
MENN-METHYL ASPARAGINEA,B2VJT0.79
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.79
MENN-METHYL ASPARAGINEA,B2V8A0.79
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.79
SYS3-[(2-amino-2-oxoethyl)selanyl]-
L-alanine
A,B,C,D3BOG0.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA2JCM0.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1J970.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2G070.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA1TA00.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B,C,D1RLO0.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1ZDM0.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA3EF10.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEE,F,G,H2FTK0.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2HEG0.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1RTU0.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1AT60.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FTL0.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1DY50.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B2FTM0.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI40.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI50.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1C9P0.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1LSQ0.71
ASIL-ISO-ASPARTATEA1EJC0.71
ASIL-ISO-ASPARTATEA,B1EJD0.71
ASIL-ISO-ASPARTATEA,B,C,D1YBG0.71
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H
1RYW0.71
ASIL-ISO-ASPARTATEA,B,C,D2Z2C0.71
ASIL-ISO-ASPARTATEA,B,C,D1JG30.71
ASIL-ISO-ASPARTATEA,B1DLG0.71
ASIL-ISO-ASPARTATEA,B,C,D2HSE0.71
ASIL-ISO-ASPARTATEA1EYN0.71
ASIL-ISO-ASPARTATEA2JV00.71
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H,I,J,K,L,
W,X,Y,Z
1Q3G0.71
AHBBETA-HYDROXYASPARAGINEA1DSR0.72
AHBBETA-HYDROXYASPARAGINEA,G1NT00.72
AHBBETA-HYDROXYASPARAGINEA2ZGD0.72
AHBBETA-HYDROXYASPARAGINEA,B2QC90.72
AHBBETA-HYDROXYASPARAGINEA2OG70.72