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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00532161

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHON-ACETYL-N-HYDROXY-L-ORNITHINEA,B1BY50.73
AHON-ACETYL-N-HYDROXY-L-ORNITHINEA,B,C2W6U0.73
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.71
DNGN-FORMYL-D-NORLEUCINEA,B1S4A0.7
DPRD-PROLINEP1MCB0.71
DPRD-PROLINEA,B,C,H,K,L2R5B0.71
DPRD-PROLINEA2KDQ0.71
DPRD-PROLINEP1MCS0.71
DPRD-PROLINEA,B2AXI0.71
DPRD-PROLINEA1JY90.71
DPRD-PROLINEA2JUE0.71
DPRD-PROLINEP1MCK0.71
DPRD-PROLINEP1MCR0.71
DPRD-PROLINEA2D550.71
DPRD-PROLINEA1T8J0.71
DPRD-PROLINEA,B2EJ60.71
DPRD-PROLINEP1MCE0.71
DPRD-PROLINEP1MCI0.71
DPRD-PROLINEA,B1SNE0.71
DPRD-PROLINEA,B,C1QFI0.71
DPRD-PROLINEA,P1MCD0.71
DPRD-PROLINEA1ICL0.71
DPRD-PROLINEP1MCQ0.71
DPRD-PROLINEG,M,P,S2I5Y0.71
DPRD-PROLINEA,B,C,D3BOG0.71
DPRD-PROLINEA,L1ZEA0.71
DPRD-PROLINEA,B173D0.71
DPRD-PROLINEA,P1MCJ0.71
DPRD-PROLINEA,B,C1A7Y0.71
DPRD-PROLINEA1IC90.71
DPRD-PROLINEA,B1JY60.71
DPRD-PROLINEA209D0.71
DPRD-PROLINEA1BFW0.71
DPRD-PROLINEA,B1O6I0.71
DPRD-PROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.71
DPRD-PROLINEA,B,C,D2R3C0.71
DPRD-PROLINEA,B,C,D1I3W0.71
DPRD-PROLINEA316D0.71
DPRD-PROLINEA,B,C,D1SN90.71
DPRD-PROLINEA,B,C,H,K,L2R5D0.71
DPRD-PROLINEA,B2Q330.71
DPRD-PROLINEG,M,P,S2I600.71
DPRD-PROLINEA,B1JY40.71
DPRD-PROLINEP1MCF0.71
DPRD-PROLINEA,B,C,D,E,F1UNM0.71
DPRD-PROLINEA1ICO0.71
DPRD-PROLINEA,B1XOF0.71
DPRD-PROLINEP1MCC0.71
DPRD-PROLINEA,B,C,D1SNA0.71
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.81
CIRCITRULLINEA,B,C,D1J210.82
CIRCITRULLINEB1KOD0.82
CIRCITRULLINEA,B,C3B3I0.82
CIRCITRULLINEC3DTX0.82
CIRCITRULLINEA2C6Z0.82
CIRCITRULLINEA,C,E,F2W650.82
CIRCITRULLINEA,B2JAI0.82
CIRCITRULLINEP3FT20.82
CIRCITRULLINEA,B,C,D1J1Z0.82
CIRCITRULLINEA,B1LXY0.82
CIRCITRULLINEF,H1OL10.82
CIRCITRULLINEA1KP30.82
CIRCITRULLINEA2NZ20.82
CIRCITRULLINEA1H700.82
CIRCITRULLINEA1K970.82
CIRCITRULLINEC3B6S0.82
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.71
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.71
DI63-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-
YL]PROPANOIC ACID
A2Q090.79
DARD-ARGININEA,B2Q330.71
DARD-ARGININEA,B,E,F,G,H1MHW0.71
DARD-ARGININEA2JUE0.71
DARD-ARGININEH,I1A4W0.71
DARD-ARGININEA1BDK0.71
DARD-ARGININEA1CWZ0.71
DARD-ARGININEB1CFA0.71
DARD-ARGININEB,C3BV90.71
DARD-ARGININEA1CVQ0.71
DARD-ARGININEA1P520.71
DARD-ARGININEA,D1CZQ0.71
DARD-ARGININEA1CW80.71
DARD-ARGININEA,B,C,D3BOG0.71
DARD-ARGININEA1BFW0.71
DARD-ARGININEA1BG00.71
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.75
AN0N-ACETYL-L-NORVALINEA1ZQ80.75
FHON^5^-FORMYL-N^5^-HYDROXY-L-ORNITHINEA,B,C2W6T0.72
FHON^5^-FORMYL-N^5^-HYDROXY-L-ORNITHINEA,B,C2W160.72
FHON^5^-FORMYL-N^5^-HYDROXY-L-ORNITHINEA,B,C2W760.72
FHON^5^-FORMYL-N^5^-HYDROXY-L-ORNITHINEA,B,C2W780.72
FHON^5^-FORMYL-N^5^-HYDROXY-L-ORNITHINEA,B,C2W770.72
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.74
FH7N^5^-formyl-N^5^-hydroxy-D-ornithineA,B,C2W6T0.72
FH7N^5^-formyl-N^5^-hydroxy-D-ornithineA,B,C2W780.72
FH7N^5^-formyl-N^5^-hydroxy-D-ornithineA,B,C2W770.72
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.71
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.71
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.71
GND2-AMINO-5-GUANIDINO-PENTANOIC ACIDA1NBK0.71
GLHN-5-CYCLOHEXYL-N-5-[(CYCLOHEXYLAMINO)CARBONYL]GLUTAMINEA,B,C,D,E,F,
G,H,I,J
2DB40.75
GLHN-5-CYCLOHEXYL-N-5-[(CYCLOHEXYLAMINO)CARBONYL]GLUTAMINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.75
GLHN-5-CYCLOHEXYL-N-5-[(CYCLOHEXYLAMINO)CARBONYL]GLUTAMINEA,B,C,D,E,F1E790.75
3GCGAMMA-GLUTAMYLCYSTEINEA,B2BU30.79
3GCGAMMA-GLUTAMYLCYSTEINEA,B1M0W0.79
GMA4-AMIDO-4-CARBAMOYL-BUTYRIC ACIDA,B,C,D2APH0.71
GMA4-AMIDO-4-CARBAMOYL-BUTYRIC ACIDB2FCI0.71
GMA4-AMIDO-4-CARBAMOYL-BUTYRIC ACIDA1B9U0.71
GMA4-AMIDO-4-CARBAMOYL-BUTYRIC ACIDA,P1TWQ0.71
DGND-GLUTAMINEA,D2Q3I0.75
DGND-GLUTAMINEA,L1ZEA0.75
DGND-GLUTAMINEA,B2FCM0.75
DGND-GLUTAMINEA1BFW0.75
DGND-GLUTAMINEE1EPR0.75
DGND-GLUTAMINEA2JX40.75
DGND-GLUTAMINEA,B,C,D2R3C0.75
DGND-GLUTAMINEA,B,C,H,K,L2R5D0.75
DGND-GLUTAMINEA,B2Q330.75
DGND-GLUTAMINEA,B,C,H,K,L2R5B0.75
DGND-GLUTAMINEA,B,C1YJ10.75
DGND-GLUTAMINEA1B740.75
AAGN-ALPHA-L-ACETYL-ARGININEA1DRY0.75