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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00484329

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AS(2S,3S)-3-amino-2-methyl-4-oxobutanoic acidA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.76
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
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.7
A0A(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACIDA,B2VJM0.71
DZEmethyl (3S)-3-[(tert-butoxycarbonyl)amino]-
4-oxopentanoate
A,B,C,D3GJR0.74
ASLASPARTIC ACID-4-CARBOXYETHYL ESTERA,B2NO50.71
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
BFDASPARTATE BERYLLIUM TRIFLUORIDEA2JCM0.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1J970.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2G070.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEA1TA00.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B,C,D1RLO0.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1ZDM0.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEA3EF10.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEE,F,G,H2FTK0.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2HEG0.71
3MD2S,3S-3-METHYLASPARTIC ACIDA,B1KKR0.76
3MD2S,3S-3-METHYLASPARTIC ACIDA,B,C,D1I9C0.76
C6LN-hexanoyl-L-homoserineA3DHA0.7
C6LN-hexanoyl-L-homoserineA3DHB0.7
ACB3-METHYL-ASPARTIC ACIDC,F,G,H3DW80.76
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYL0.76
ACB3-METHYL-ASPARTIC ACIDA1EVD0.76
ACB3-METHYL-ASPARTIC ACIDA1EVB0.76
ACB3-METHYL-ASPARTIC ACIDA1EVA0.76
ACB3-METHYL-ASPARTIC ACIDA1LCM0.76
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYM0.76
ACB3-METHYL-ASPARTIC ACIDA1AY30.76
ACB3-METHYL-ASPARTIC ACIDA,B,M,N1FJM0.76
ACB3-METHYL-ASPARTIC ACIDC,I2IE30.76
ACB3-METHYL-ASPARTIC ACIDC,F,X,Y2NPP0.76
ACB3-METHYL-ASPARTIC ACIDC,F,M,N2IAE0.76
ACB3-METHYL-ASPARTIC ACIDA1EVC0.76
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
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.76
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.76
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.76
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.76
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.76
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.76
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.76
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.76
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.76
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.76
OXXOXALYL-ASPARTYL ANHYDRIDEA,B1T4C0.7
MHLN-METHYL-4-HYDROXY-LEUCINEC1CWL0.79
DMK3,3-DIMETHYL ASPARTIC ACIDE,F,G,H1NKK0.73
DMK3,3-DIMETHYL ASPARTIC ACIDA,B,C,D,E,F,
G,H
1NJT0.73
MAAN-METHYLALANINEA,B1A7Z0.71
MAAN-METHYLALANINEA,B2VSL0.71
MAAN-METHYLALANINEC1CWI0.71
MAAN-METHYLALANINEC,F,G,H3DW80.71
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYL0.71
MAAN-METHYLALANINED1D5X0.71
MAAN-METHYLALANINEC1PYW0.71
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYM0.71
MAAN-METHYLALANINEC,I2IE30.71
MAAN-METHYLALANINEC,F,X,Y2NPP0.71
MVAN-METHYLVALINEA209D0.76
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.76
MVAN-METHYLVALINEC1CWH0.76
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.76
MVAN-METHYLVALINEA1DSD0.76
MVAN-METHYLVALINEB1L1V0.76
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.76
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.76
MVAN-METHYLVALINEC1CWO0.76
MVAN-METHYLVALINEC1CWL0.76
MVAN-METHYLVALINEB1MIK0.76
MVAN-METHYLVALINEA1CSA0.76
MVAN-METHYLVALINEC1CWM0.76
MVAN-METHYLVALINEA1PFE0.76
MVAN-METHYLVALINEA,B,D,E,F,H1M630.76
MVAN-METHYLVALINEC1CWC0.76
MVAN-METHYLVALINEB,D,F,H2RMC0.76
MVAN-METHYLVALINEC1CWK0.76
MVAN-METHYLVALINEC1CYN0.76
MVAN-METHYLVALINEC,D1MNV0.76
MVAN-METHYLVALINEC,D2OJU0.76
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.76
MVAN-METHYLVALINEA1CYB0.76
MVAN-METHYLVALINED1QNG0.76
MVAN-METHYLVALINEA,C,E,G2ADW0.76
MVAN-METHYLVALINEC1CWB0.76
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.76
MVAN-METHYLVALINEA,B1OVF0.76
MVAN-METHYLVALINEA,B185D0.76
MVAN-METHYLVALINEA1XVK0.76
MVAN-METHYLVALINEA,C1XVR0.76
MVAN-METHYLVALINEA,B173D0.76
MVAN-METHYLVALINEA,B1FJA0.76
MVAN-METHYLVALINEB3CYS0.76
MVAN-METHYLVALINEA,B,C1A7Y0.76
MVAN-METHYLVALINEA,B,C1L5G0.76
MVAN-METHYLVALINEA,B,C,D1I3W0.76
MVAN-METHYLVALINEA316D0.76
MVAN-METHYLVALINEA1XVN0.76
MVAN-METHYLVALINEC1IKF0.76
MVAN-METHYLVALINEA,M,N2Z6W0.76
MVAN-METHYLVALINEA,B,C1QFI0.76
MVAN-METHYLVALINEA,B3GO30.76
MVAN-METHYLVALINEC1CWA0.76
MVAN-METHYLVALINEC1CWF0.76
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.76
MVAN-METHYLVALINED,E,F1XQ70.76
MVAN-METHYLVALINEA1CYA0.76
MVAN-METHYLVALINEA,B,D1MF80.76
MVAN-METHYLVALINEA,B1A7Z0.76
MVAN-METHYLVALINEA1DSC0.76
MVAN-METHYLVALINET,U,V2POY0.76
MVAN-METHYLVALINEA2D550.76
MVAN-METHYLVALINEC1BCK0.76
MVAN-METHYLVALINEC1CWI0.76
MVAN-METHYLVALINEC,D1QNH0.76
MVAN-METHYLVALINEA1VS20.76