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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02320137

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.75
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.8
AN0N-ACETYL-L-NORVALINEA1ZQ80.8
DSGD-ASPARAGINEA,B2Q330.76
DSGD-ASPARAGINEA2IH00.76
DSGD-ASPARAGINEA2JUE0.76
DSGD-ASPARAGINEA1A850.76
DSGD-ASPARAGINEA1T5N0.76
DSGD-ASPARAGINEA2IGZ0.76
DSGD-ASPARAGINEA,B,C,D3BOG0.76
DSGD-ASPARAGINEA1T5M0.76
DSGD-ASPARAGINEA,B1HXB0.76
NSKN-SUCCINYL LYSINEA2P8B0.75
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.76
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.84
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.84
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.84
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.84
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.84
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.84
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.72
AMEN-ACETYLMETHIONINEA,B2J4Y0.72
NLGN-ACETYL-L-GLUTAMATEA1OH90.78
NLGN-ACETYL-L-GLUTAMATEA1OHA0.78
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.78
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.78
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.78
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.78
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.78
NLGN-ACETYL-L-GLUTAMATEA3B8G0.78
NLGN-ACETYL-L-GLUTAMATEA1GS50.78
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.78
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.85
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.7
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.7
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.7
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.7
AYAN-ACETYLALANINEA1D0W0.77
AYAN-ACETYLALANINEA1AH40.77
AYAN-ACETYLALANINEA,B1VBP0.77
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.77
AYAN-ACETYLALANINEA,B,C,D1OUW0.77
AYAN-ACETYLALANINEA1AH30.77
AYAN-ACETYLALANINEA1EKO0.77
AYAN-ACETYLALANINEB,D,F,H2V4I0.77
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.77
AYAN-ACETYLALANINEA,B,C,D1J4U0.77
1583-(2-MERCAPTO-ACETYLAMINO)-4-OXO-
PENTANOIC ACID
A,B1NME0.71
1583-(2-MERCAPTO-ACETYLAMINO)-4-OXO-
PENTANOIC ACID
A1RWK0.71
NC44-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACIDA1ZD30.72
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.78
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.75
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.7
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.72
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.73
MEQN5-METHYLGLUTAMINEA,B1NV80.72
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.71
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.71
THCN-METHYLCARBONYLTHREONINEB2HR00.71
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.71
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.71
ABUGAMMA-AMINO-BUTANOIC ACIDE,I,J1M1A0.71
ABUGAMMA-AMINO-BUTANOIC ACIDD,I,J1M180.71
ABUGAMMA-AMINO-BUTANOIC ACIDA2OKK0.71
ABUGAMMA-AMINO-BUTANOIC ACIDI1QUR0.71
ABUGAMMA-AMINO-BUTANOIC ACIDE,I,J1M190.71
ABUGAMMA-AMINO-BUTANOIC ACIDA,B2OKJ0.71
ABUGAMMA-AMINO-BUTANOIC ACIDA,B1CGL0.71
ABUGAMMA-AMINO-BUTANOIC ACIDA6JDW0.71
ABUGAMMA-AMINO-BUTANOIC ACIDA,D,E,G,I,J1S320.71
ABUGAMMA-AMINO-BUTANOIC ACIDA,B2JT90.71
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.87
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
1GH00.87
MENN-METHYL ASPARAGINEA,B,C,D1XF60.87
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.87
MENN-METHYL ASPARAGINEA,B1I7Y0.87
MENN-METHYL ASPARAGINEA,B3BRP0.87
MENN-METHYL ASPARAGINEA,B1JBO0.87
MENN-METHYL ASPARAGINEA,B1ALL0.87
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.87
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
1HA70.87
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.87
MENN-METHYL ASPARAGINEA,B1KTP0.87
MENN-METHYL ASPARAGINEA,B1PHN0.87
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.87
MENN-METHYL ASPARAGINEA,B,C,D1XG00.87
MENN-METHYL ASPARAGINEA,B2VJT0.87
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.87
MENN-METHYL ASPARAGINEA,B2V8A0.87
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.87
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.7
ORQN~5~-ACETYL-L-ORNITHINEP,Q2FX90.76
ALYN(6)-ACETYLLYSINEA,B2B4D0.74
ALYN(6)-ACETYLLYSINEA,B2OD90.74
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.74
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.74
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.74
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.74
ALYN(6)-ACETYLLYSINEA,B2B5G0.74
ALYN(6)-ACETYLLYSINEA2GIV0.74
ALYN(6)-ACETYLLYSINEB2RNY0.74
ALYN(6)-ACETYLLYSINEA1JSP0.74
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.74
ALYN(6)-ACETYLLYSINEA,D3D4B0.74
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.74
ALYN(6)-ACETYLLYSINEA,B2R0Y0.74
ALYN(6)-ACETYLLYSINEA3CZ70.74
ALYN(6)-ACETYLLYSINEA1JM40.74
ALYN(6)-ACETYLLYSINEA,B2H4H0.74
ALYN(6)-ACETYLLYSINEA,B2J6V0.74
ALYN(6)-ACETYLLYSINEA,B2R100.74
ALYN(6)-ACETYLLYSINEA,B1YC50.74
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.74
ALYN(6)-ACETYLLYSINEA,B2H2G0.74
ALYN(6)-ACETYLLYSINEA,D2H4F0.74
ALYN(6)-ACETYLLYSINEA2OU20.74
ALYN(6)-ACETYLLYSINEA,B1S5P0.74
ALYN(6)-ACETYLLYSINEB2RNW0.74
ALYN(6)-ACETYLLYSINEA3D350.74
ALYN(6)-ACETYLLYSINEA,B2OD20.74
ALYN(6)-ACETYLLYSINEA2ZFN0.74
ALYN(6)-ACETYLLYSINEC,D2C1J0.74
ALYN(6)-ACETYLLYSINEA,B2QQG0.74
ALYN(6)-ACETYLLYSINEB2RNX0.74
ALYN(6)-ACETYLLYSINEA,B1MA30.74
ALYN(6)-ACETYLLYSINEA,B2H2H0.74
ALYN(6)-ACETYLLYSINEA2I2Z0.74
ALYN(6)-ACETYLLYSINEA,B2OD70.74
ALYN(6)-ACETYLLYSINEP1E6I0.74
ALYN(6)-ACETYLLYSINEA,B1SZC0.74
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.74
ALYN(6)-ACETYLLYSINEA,B2H2D0.74
ALYN(6)-ACETYLLYSINEA,B1Q1A0.74
ALYN(6)-ACETYLLYSINEA,B1SZD0.74
ALYN(6)-ACETYLLYSINEQ,R2E3K0.74
ALYN(6)-ACETYLLYSINEA2OZU0.74
ALYN(6)-ACETYLLYSINEA,B2QQF0.74
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.74
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.84
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.84
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.84
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.84
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.84
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.75