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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02543300

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C2OXJ0.77
B3A(3S)-3-AMINOBUTANOIC ACIDA,B,C3HEZ0.77
B3A(3S)-3-AMINOBUTANOIC ACIDA2OXK0.77
ABUGAMMA-AMINO-BUTANOIC ACIDE,I,J1M1A0.72
ABUGAMMA-AMINO-BUTANOIC ACIDD,I,J1M180.72
ABUGAMMA-AMINO-BUTANOIC ACIDA2OKK0.72
ABUGAMMA-AMINO-BUTANOIC ACIDI1QUR0.72
ABUGAMMA-AMINO-BUTANOIC ACIDE,I,J1M190.72
ABUGAMMA-AMINO-BUTANOIC ACIDA,B2OKJ0.72
ABUGAMMA-AMINO-BUTANOIC ACIDA,B1CGL0.72
ABUGAMMA-AMINO-BUTANOIC ACIDA6JDW0.72
ABUGAMMA-AMINO-BUTANOIC ACIDA,D,E,G,I,J1S320.72
ABUGAMMA-AMINO-BUTANOIC ACIDA,B2JT90.72
CSESELENOCYSTEINEA,B3FWF0.78
CSESELENOCYSTEINEA,B,K,L1H0H0.78
CSESELENOCYSTEINEA,B,C,D,E,F3EAN0.78
CSESELENOCYSTEINEX2IV20.78
CSESELENOCYSTEINEA1AA60.78
CSESELENOCYSTEINEA1FDO0.78
CSESELENOCYSTEINEA,B,C1KQG0.78
CSESELENOCYSTEINEA3FWI0.78
CSESELENOCYSTEINEA,B,C1KQF0.78
CSESELENOCYSTEINEA1KMK0.78
CSESELENOCYSTEINEX1PAE0.78
CSESELENOCYSTEINEA1PFP0.78
CSESELENOCYSTEINEL,S1CC10.78
CSESELENOCYSTEINEA,B,C,D,E,F3EAO0.78
CSESELENOCYSTEINEA1FDI0.78
CSESELENOCYSTEINEA3FWJ0.78
BCXBETA-3-CYSTEINEA1J8Z0.71
OBF(2S)-2-amino-4,4-difluorobutanoic acidA,B2K1Q0.73
MLM3-AMINO-3-OXOPROPANOIC ACIDA,B1O9O0.73
SOCDIOXYSELENOCYSTEINEA1UBN0.76
SEC2-AMINO-3-SELENINO-PROPIONIC ACIDA,B1SEL0.76
SEC2-AMINO-3-SELENINO-PROPIONIC ACIDA2BC70.76
SEC2-AMINO-3-SELENINO-PROPIONIC ACIDA,B1GP10.76
SEC2-AMINO-3-SELENINO-PROPIONIC ACIDA2BC80.76
DPPDIAMMINOPROPANOIC ACIDA,B1B5H0.77
BIBBETA-AMINO ISOBUTYRATEA,B1R430.73
BIBBETA-AMINO ISOBUTYRATEA,B,C,D,E,F,
G,H
1R3N0.73
DNP3-AMINO-ALANINEA1BEI0.77
BALBETA-ALANINEA2OXK0.94
BALBETA-ALANINEP1MCE0.94
BALBETA-ALANINEB1RGR0.94
BALBETA-ALANINEA,B,C,D3C3F0.94
BALBETA-ALANINEA,B,C,D,F,Q1EFR0.94
BALBETA-ALANINEP1MCF0.94
BALBETA-ALANINEA,B2A860.94
BALBETA-ALANINEA,D,E,G,I,J1S320.94
BALBETA-ALANINEP1MCH0.94
BALBETA-ALANINEA,B,C,D2V8G0.94
BALBETA-ALANINEA,B,C2OXJ0.94
BALBETA-ALANINEA2IH00.94
BALBETA-ALANINEA,B1N2J0.94
BALBETA-ALANINEE,I,J1M190.94
BALBETA-ALANINEA3C3H0.94
BALBETA-ALANINED,I,J1M180.94
BALBETA-ALANINEA3C3G0.94
BALBETA-ALANINEA,B1N2O0.94
BALBETA-ALANINEE,I,J1M1A0.94
BALBETA-ALANINEI1E800.94
BALBETA-ALANINEA,P1MCD0.94
DALD-ALANINET,U,V2POY0.76
DALD-ALANINEC1CWI0.76
DALD-ALANINEC,D1QNH0.76
DALD-ALANINEA1CYA0.76
DALD-ALANINEI1HBT0.76
DALD-ALANINEA,B1XOF0.76
DALD-ALANINEA1XT70.76
DALD-ALANINEA2DDE0.76
DALD-ALANINEA,B2Q330.76
DALD-ALANINEA,B,C,D1ZMI0.76
DALD-ALANINEA,B,C,D1SN90.76
DALD-ALANINEA,B,C,D2R3C0.76
DALD-ALANINEC,F,M,N2IAE0.76
DALD-ALANINEA1W9N0.76
DALD-ALANINEC,F,X,Y2NPP0.76
DALD-ALANINEE,S148L0.76
DALD-ALANINEA,B,C,D,E,F1FVM0.76
DALD-ALANINEC1IKF0.76
DALD-ALANINEA1T5N0.76
DALD-ALANINEA,B,C,D1ZMH0.76
DALD-ALANINEC1CWM0.76
DALD-ALANINEC1CWC0.76
DALD-ALANINEA1EVB0.76
DALD-ALANINEB,D,F,H2RMC0.76
DALD-ALANINEA,B,C2YZM0.76
DALD-ALANINEA,B,D,E,F,H1M630.76
DALD-ALANINEC1CWL0.76
DALD-ALANINEB1BZV0.76
DALD-ALANINEA1CSA0.76
DALD-ALANINEA,B,N,P1HHY0.76
DALD-ALANINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,S
1GO60.76
DALD-ALANINEB1MIK0.76
DALD-ALANINED1QNG0.76
DALD-ALANINEA1CYB0.76
DALD-ALANINEA,B,C,D2ZDH0.76
DALD-ALANINEC1CWB0.76
DALD-ALANINEL,N1WCO0.76
DALD-ALANINEC1CWK0.76
DALD-ALANINEA,B,C,H,K,L2R5B0.76
DALD-ALANINEC1CYN0.76
DALD-ALANINEA1QTE0.76
DALD-ALANINEC,F,G,H3DW80.76
DALD-ALANINEA,B2GYP0.76
DALD-ALANINEA,B,C,D,E,F,
G,H
2NYL0.76
DALD-ALANINEA,B,C,D,E,F,
G,H
3BO70.76
DALD-ALANINED1PEK0.76
DALD-ALANINEA,B2J9P0.76
DALD-ALANINEA3DHV0.76
DALD-ALANINEA,B,C,H,K,L2R5D0.76
DALD-ALANINEC1CWH0.76
DALD-ALANINEA1C4B0.76
DALD-ALANINEA,B,C,D3BOG0.76
DALD-ALANINEC2IH10.76
DALD-ALANINEA1T5M0.76
DALD-ALANINEA,B2ZDQ0.76
DALD-ALANINEA1IC90.76
DALD-ALANINEB1VBS0.76
DALD-ALANINEB,D,F,H,J,L,
N,P,R,T
2RMB0.76
DALD-ALANINEA1ICL0.76
DALD-ALANINEA,D2Q3I0.76
DALD-ALANINEC,I2IE30.76
DALD-ALANINEA,B1ZMK0.76
DALD-ALANINEB2K9R0.76
DALD-ALANINEA,B,M,N1FJM0.76
DALD-ALANINEA,B1SNE0.76
DALD-ALANINEB,C3BV90.76
DALD-ALANINEA2HVF0.76
DALD-ALANINEL2EAX0.76
DALD-ALANINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.76
DALD-ALANINEA,B,C,D,E,M1HHU0.76
DALD-ALANINEA,B,C,D1SNA0.76
DALD-ALANINEC1BCK0.76
DALD-ALANINEA1IKI0.76
DALD-ALANINEA,B,D1MF80.76
DALD-ALANINEA,B,C,D2APH0.76
DALD-ALANINEC1CWJ0.76
DALD-ALANINEA1ICO0.76
DALD-ALANINEC,D2OJU0.76
DALD-ALANINEB,D,F,H,J,L,
N,P,R,T
2RMA0.76
DALD-ALANINEA1C0P0.76
DALD-ALANINEA1BFW0.76
DALD-ALANINEA1AJ10.76
DALD-ALANINEA1KTO0.76
DALD-ALANINEA,D1CZQ0.76
DALD-ALANINEB3CYS0.76
DALD-ALANINEC1CWA0.76
DALD-ALANINEC1CWF0.76
DALD-ALANINEA,B1P4N0.76
DALD-ALANINED,E,F1XQ70.76
DALD-ALANINEB,D,F,H,J,L,
N,P
1C5F0.76
DALD-ALANINEC2IH30.76
DALD-ALANINEA,M,N2Z6W0.76
DALD-ALANINEA1EVA0.76
DALD-ALANINEA1LCM0.76
DALD-ALANINEU2AIZ0.76
DALD-ALANINEA,B,C,D,E,F,
G,H
2NYM0.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEA2JCM0.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1J970.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2G070.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA1TA00.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B,C,D1RLO0.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1ZDM0.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA3EF10.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEE,F,G,H2FTK0.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2HEG0.7
FLATRIFLUOROALANINEA1C0L0.76