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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03913934

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.75
AYAN-ACETYLALANINEA1D0W0.74
AYAN-ACETYLALANINEA1AH40.74
AYAN-ACETYLALANINEA,B1VBP0.74
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.74
AYAN-ACETYLALANINEA,B,C,D1OUW0.74
AYAN-ACETYLALANINEA1AH30.74
AYAN-ACETYLALANINEA1EKO0.74
AYAN-ACETYLALANINEB,D,F,H2V4I0.74
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.74
AYAN-ACETYLALANINEA,B,C,D1J4U0.74
NXAN-CARBOXYALANINEA2IUX0.72
NXAN-CARBOXYALANINEA1O8A0.72
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.71
ASIL-ISO-ASPARTATEA1EJC0.73
ASIL-ISO-ASPARTATEA,B1EJD0.73
ASIL-ISO-ASPARTATEA,B,C,D1YBG0.73
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H
1RYW0.73
ASIL-ISO-ASPARTATEA,B,C,D2Z2C0.73
ASIL-ISO-ASPARTATEA,B,C,D1JG30.73
ASIL-ISO-ASPARTATEA,B1DLG0.73
ASIL-ISO-ASPARTATEA,B,C,D2HSE0.73
ASIL-ISO-ASPARTATEA1EYN0.73
ASIL-ISO-ASPARTATEA2JV00.73
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H,I,J,K,L,
W,X,Y,Z
1Q3G0.73
NLGN-ACETYL-L-GLUTAMATEA1OH90.7
NLGN-ACETYL-L-GLUTAMATEA1OHA0.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.7
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.7
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.7
NLGN-ACETYL-L-GLUTAMATEA3B8G0.7
NLGN-ACETYL-L-GLUTAMATEA1GS50.7
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.7
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.73
1583-(2-MERCAPTO-ACETYLAMINO)-4-OXO-
PENTANOIC ACID
A,B1NME0.71
1583-(2-MERCAPTO-ACETYLAMINO)-4-OXO-
PENTANOIC ACID
A1RWK0.71
NSKN-SUCCINYL LYSINEA2P8B0.7
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1RTU0.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1AT60.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FTL0.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1DY50.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B2FTM0.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI40.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI50.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1C9P0.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1LSQ0.73
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.72
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.7
C6LN-hexanoyl-L-homoserineA3DHA0.72
C6LN-hexanoyl-L-homoserineA3DHB0.72
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.71
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
1GH00.71
MENN-METHYL ASPARAGINEA,B,C,D1XF60.71
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.71
MENN-METHYL ASPARAGINEA,B1I7Y0.71
MENN-METHYL ASPARAGINEA,B3BRP0.71
MENN-METHYL ASPARAGINEA,B1JBO0.71
MENN-METHYL ASPARAGINEA,B1ALL0.71
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.71
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
1HA70.71
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.71
MENN-METHYL ASPARAGINEA,B1KTP0.71
MENN-METHYL ASPARAGINEA,B1PHN0.71
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.71
MENN-METHYL ASPARAGINEA,B,C,D1XG00.71
MENN-METHYL ASPARAGINEA,B2VJT0.71
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.71
MENN-METHYL ASPARAGINEA,B2V8A0.71
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.71
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.71
THCN-METHYLCARBONYLTHREONINEB2HR00.71
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.71
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.71
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.74
AN0N-ACETYL-L-NORVALINEA1ZQ80.74
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.82
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.82
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.82
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.82
DASD-ASPARTIC ACIDA1BFW0.73
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5D0.73
DASD-ASPARTIC ACIDA1KS70.73
DASD-ASPARTIC ACIDA1C4B0.73
DASD-ASPARTIC ACIDA,B,C,D3BOG0.73
DASD-ASPARTIC ACIDA,L1ZEA0.73
DASD-ASPARTIC ACIDA,B,C,D1HG10.73
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5B0.73
DASD-ASPARTIC ACIDA,B2Q330.73
DASD-ASPARTIC ACIDE1AN10.73
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA2JCM0.77
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1J970.77
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2G070.77
BFDASPARTATE BERYLLIUM TRIFLUORIDEA1TA00.77
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B,C,D1RLO0.77
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1ZDM0.77
BFDASPARTATE BERYLLIUM TRIFLUORIDEA3EF10.77
BFDASPARTATE BERYLLIUM TRIFLUORIDEE,F,G,H2FTK0.77
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2HEG0.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C1EKX0.8
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q950.8
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1TTH0.8
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1ACM0.8
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1D090.8
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1XJW0.8
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA1ML40.8
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDB,D1I5O0.8
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1F1B0.8
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D8ATC0.8