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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021110

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
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.71
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E681
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE1
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z291
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z261
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z271
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z281
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A1
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z241
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z251
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.73
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.71
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.77
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
1GH00.77
MENN-METHYL ASPARAGINEA,B,C,D1XF60.77
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.77
MENN-METHYL ASPARAGINEA,B1I7Y0.77
MENN-METHYL ASPARAGINEA,B3BRP0.77
MENN-METHYL ASPARAGINEA,B1JBO0.77
MENN-METHYL ASPARAGINEA,B1ALL0.77
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.77
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
1HA70.77
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.77
MENN-METHYL ASPARAGINEA,B1KTP0.77
MENN-METHYL ASPARAGINEA,B1PHN0.77
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.77
MENN-METHYL ASPARAGINEA,B,C,D1XG00.77
MENN-METHYL ASPARAGINEA,B2VJT0.77
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.77
MENN-METHYL ASPARAGINEA,B2V8A0.77
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.7
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.75
NC44-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACIDA1ZD30.7
NSKN-SUCCINYL LYSINEA2P8B0.7
DSGD-ASPARAGINEA,B2Q330.7
DSGD-ASPARAGINEA2IH00.7
DSGD-ASPARAGINEA2JUE0.7
DSGD-ASPARAGINEA1A850.7
DSGD-ASPARAGINEA1T5N0.7
DSGD-ASPARAGINEA2IGZ0.7
DSGD-ASPARAGINEA,B,C,D3BOG0.7
DSGD-ASPARAGINEA1T5M0.7
DSGD-ASPARAGINEA,B1HXB0.7
OXCOXONIC ACIDA,B2E6F0.73
OXCOXONIC ACIDA1R4U0.73
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.79
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.79
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.79
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.79
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.79
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.79
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.79
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.79
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.79
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.79
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.74
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.74
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.74
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.74
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.74