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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00047372

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.7
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.72
THCN-METHYLCARBONYLTHREONINEB2HR00.72
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.72
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.72
NXAN-CARBOXYALANINEA2IUX0.7
NXAN-CARBOXYALANINEA1O8A0.7
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.72
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F,
G,H
2J580.7
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F2J2P0.7
SC2N-ACETYL-L-CYSTEINEB,C,D,E,F2J1G0.7
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.79
MLEN-METHYLLEUCINEA,D2J9A0.73
MLEN-METHYLLEUCINEC1IKF0.73
MLEN-METHYLLEUCINEA,M,N2Z6W0.73
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.73
MLEN-METHYLLEUCINED,E,F1XQ70.73
MLEN-METHYLLEUCINEC1CWA0.73
MLEN-METHYLLEUCINEC1CWF0.73
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.73
MLEN-METHYLLEUCINEB3CYS0.73
MLEN-METHYLLEUCINEC1CWH0.73
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.73
MLEN-METHYLLEUCINEC1CYN0.73
MLEN-METHYLLEUCINEA1LV90.73
MLEN-METHYLLEUCINEC,D2OJU0.73
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.73
MLEN-METHYLLEUCINEA1IKM0.73
MLEN-METHYLLEUCINEC1CWK0.73
MLEN-METHYLLEUCINEA,B2HG80.73
MLEN-METHYLLEUCINEC1CWB0.73
MLEN-METHYLLEUCINEC1CWJ0.73
MLEN-METHYLLEUCINEA1CYB0.73
MLEN-METHYLLEUCINED1QNG0.73
MLEN-METHYLLEUCINEB1MIK0.73
MLEN-METHYLLEUCINEA1CSA0.73
MLEN-METHYLLEUCINEC1CWL0.73
MLEN-METHYLLEUCINEA1CYA0.73
MLEN-METHYLLEUCINEA,B,D1MF80.73
MLEN-METHYLLEUCINEC1BCK0.73
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.73
MLEN-METHYLLEUCINEC1CWC0.73
MLEN-METHYLLEUCINEC1CWI0.73
MLEN-METHYLLEUCINEC,D1QNH0.73
MLEN-METHYLLEUCINEB,D,F,H2RMC0.73
MLEN-METHYLLEUCINEC1CWM0.73
MLEN-METHYLLEUCINET,U,V2POY0.73
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.73
MLEN-METHYLLEUCINEC1CWO0.73
MLEN-METHYLLEUCINEA1IKL0.73
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.73
AMEN-ACETYLMETHIONINEA,B2J4Y0.73
AYAN-ACETYLALANINEA1D0W0.78
AYAN-ACETYLALANINEA1AH40.78
AYAN-ACETYLALANINEA,B1VBP0.78
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.78
AYAN-ACETYLALANINEA,B,C,D1OUW0.78
AYAN-ACETYLALANINEA1AH30.78
AYAN-ACETYLALANINEA1EKO0.78
AYAN-ACETYLALANINEB,D,F,H2V4I0.78
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.78
AYAN-ACETYLALANINEA,B,C,D1J4U0.78
IMLN-METHYL-ISOLEUCINEC1CWM0.73
NLGN-ACETYL-L-GLUTAMATEA1OH90.71
NLGN-ACETYL-L-GLUTAMATEA1OHA0.71
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.71
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.71
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.71
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.71
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.71
NLGN-ACETYL-L-GLUTAMATEA3B8G0.71
NLGN-ACETYL-L-GLUTAMATEA1GS50.71
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.71
MVAN-METHYLVALINEA209D0.79
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.79
MVAN-METHYLVALINEC1CWH0.79
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
1UNJ0.79
MVAN-METHYLVALINEA1DSD0.79
MVAN-METHYLVALINEB1L1V0.79
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.79
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.79
MVAN-METHYLVALINEC1CWO0.79
MVAN-METHYLVALINEC1CWL0.79
MVAN-METHYLVALINEB1MIK0.79
MVAN-METHYLVALINEA1CSA0.79
MVAN-METHYLVALINEC1CWM0.79
MVAN-METHYLVALINEA1PFE0.79
MVAN-METHYLVALINEA,B,D,E,F,H1M630.79
MVAN-METHYLVALINEC1CWC0.79
MVAN-METHYLVALINEB,D,F,H2RMC0.79
MVAN-METHYLVALINEC1CWK0.79
MVAN-METHYLVALINEC1CYN0.79
MVAN-METHYLVALINEC,D1MNV0.79
MVAN-METHYLVALINEC,D2OJU0.79
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.79
MVAN-METHYLVALINEA1CYB0.79
MVAN-METHYLVALINED1QNG0.79
MVAN-METHYLVALINEA,C,E,G2ADW0.79
MVAN-METHYLVALINEC1CWB0.79
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.79
MVAN-METHYLVALINEA,B1OVF0.79
MVAN-METHYLVALINEA,B185D0.79
MVAN-METHYLVALINEA1XVK0.79
MVAN-METHYLVALINEA,C1XVR0.79
MVAN-METHYLVALINEA,B173D0.79
MVAN-METHYLVALINEA,B1FJA0.79
MVAN-METHYLVALINEB3CYS0.79
MVAN-METHYLVALINEA,B,C1A7Y0.79
MVAN-METHYLVALINEA,B,C1L5G0.79
MVAN-METHYLVALINEA,B,C,D1I3W0.79
MVAN-METHYLVALINEA316D0.79
MVAN-METHYLVALINEA1XVN0.79
MVAN-METHYLVALINEC1IKF0.79
MVAN-METHYLVALINEA,M,N2Z6W0.79
MVAN-METHYLVALINEA,B,C1QFI0.79
MVAN-METHYLVALINEA,B3GO30.79
MVAN-METHYLVALINEC1CWA0.79
MVAN-METHYLVALINEC1CWF0.79
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.79
MVAN-METHYLVALINED,E,F1XQ70.79
MVAN-METHYLVALINEA1CYA0.79
MVAN-METHYLVALINEA,B,D1MF80.79
MVAN-METHYLVALINEA,B1A7Z0.79
MVAN-METHYLVALINEA1DSC0.79
MVAN-METHYLVALINET,U,V2POY0.79
MVAN-METHYLVALINEA2D550.79
MVAN-METHYLVALINEC1BCK0.79
MVAN-METHYLVALINEC1CWI0.79
MVAN-METHYLVALINEC,D1QNH0.79
MVAN-METHYLVALINEA1VS20.79
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.73
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.77
AN0N-ACETYL-L-NORVALINEA1ZQ80.77