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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00536462

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.7
THCN-METHYLCARBONYLTHREONINEB2HR00.7
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.7
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.7
INC2-(ACETYL-HYDROXY-AMINO)-4-METHYL-
PENTANOIC ACID METHYL ESTER
A7TLN0.72
MLEN-METHYLLEUCINEA,D2J9A0.72
MLEN-METHYLLEUCINEC1IKF0.72
MLEN-METHYLLEUCINEA,M,N2Z6W0.72
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.72
MLEN-METHYLLEUCINED,E,F1XQ70.72
MLEN-METHYLLEUCINEC1CWA0.72
MLEN-METHYLLEUCINEC1CWF0.72
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.72
MLEN-METHYLLEUCINEB3CYS0.72
MLEN-METHYLLEUCINEC1CWH0.72
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.72
MLEN-METHYLLEUCINEC1CYN0.72
MLEN-METHYLLEUCINEA1LV90.72
MLEN-METHYLLEUCINEC,D2OJU0.72
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.72
MLEN-METHYLLEUCINEA1IKM0.72
MLEN-METHYLLEUCINEC1CWK0.72
MLEN-METHYLLEUCINEA,B2HG80.72
MLEN-METHYLLEUCINEC1CWB0.72
MLEN-METHYLLEUCINEC1CWJ0.72
MLEN-METHYLLEUCINEA1CYB0.72
MLEN-METHYLLEUCINED1QNG0.72
MLEN-METHYLLEUCINEB1MIK0.72
MLEN-METHYLLEUCINEA1CSA0.72
MLEN-METHYLLEUCINEC1CWL0.72
MLEN-METHYLLEUCINEA1CYA0.72
MLEN-METHYLLEUCINEA,B,D1MF80.72
MLEN-METHYLLEUCINEC1BCK0.72
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.72
MLEN-METHYLLEUCINEC1CWC0.72
MLEN-METHYLLEUCINEC1CWI0.72
MLEN-METHYLLEUCINEC,D1QNH0.72
MLEN-METHYLLEUCINEB,D,F,H2RMC0.72
MLEN-METHYLLEUCINEC1CWM0.72
MLEN-METHYLLEUCINET,U,V2POY0.72
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.72
MLEN-METHYLLEUCINEC1CWO0.72
MLEN-METHYLLEUCINEA1IKL0.72
AYAN-ACETYLALANINEA1D0W0.7
AYAN-ACETYLALANINEA1AH40.7
AYAN-ACETYLALANINEA,B1VBP0.7
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.7
AYAN-ACETYLALANINEA,B,C,D1OUW0.7
AYAN-ACETYLALANINEA1AH30.7
AYAN-ACETYLALANINEA1EKO0.7
AYAN-ACETYLALANINEB,D,F,H2V4I0.7
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.7
AYAN-ACETYLALANINEA,B,C,D1J4U0.7
NXAN-CARBOXYALANINEA2IUX0.75
NXAN-CARBOXYALANINEA1O8A0.75
DZEmethyl (3S)-3-[(tert-butoxycarbonyl)amino]-
4-oxopentanoate
A,B,C,D3GJR0.73
MVAN-METHYLVALINEA209D0.78
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.78
MVAN-METHYLVALINEC1CWH0.78
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
1UNJ0.78
MVAN-METHYLVALINEA1DSD0.78
MVAN-METHYLVALINEB1L1V0.78
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.78
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.78
MVAN-METHYLVALINEC1CWO0.78
MVAN-METHYLVALINEC1CWL0.78
MVAN-METHYLVALINEB1MIK0.78
MVAN-METHYLVALINEA1CSA0.78
MVAN-METHYLVALINEC1CWM0.78
MVAN-METHYLVALINEA1PFE0.78
MVAN-METHYLVALINEA,B,D,E,F,H1M630.78
MVAN-METHYLVALINEC1CWC0.78
MVAN-METHYLVALINEB,D,F,H2RMC0.78
MVAN-METHYLVALINEC1CWK0.78
MVAN-METHYLVALINEC1CYN0.78
MVAN-METHYLVALINEC,D1MNV0.78
MVAN-METHYLVALINEC,D2OJU0.78
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.78
MVAN-METHYLVALINEA1CYB0.78
MVAN-METHYLVALINED1QNG0.78
MVAN-METHYLVALINEA,C,E,G2ADW0.78
MVAN-METHYLVALINEC1CWB0.78
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.78
MVAN-METHYLVALINEA,B1OVF0.78
MVAN-METHYLVALINEA,B185D0.78
MVAN-METHYLVALINEA1XVK0.78
MVAN-METHYLVALINEA,C1XVR0.78
MVAN-METHYLVALINEA,B173D0.78
MVAN-METHYLVALINEA,B1FJA0.78
MVAN-METHYLVALINEB3CYS0.78
MVAN-METHYLVALINEA,B,C1A7Y0.78
MVAN-METHYLVALINEA,B,C1L5G0.78
MVAN-METHYLVALINEA,B,C,D1I3W0.78
MVAN-METHYLVALINEA316D0.78
MVAN-METHYLVALINEA1XVN0.78
MVAN-METHYLVALINEC1IKF0.78
MVAN-METHYLVALINEA,M,N2Z6W0.78
MVAN-METHYLVALINEA,B,C1QFI0.78
MVAN-METHYLVALINEA,B3GO30.78
MVAN-METHYLVALINEC1CWA0.78
MVAN-METHYLVALINEC1CWF0.78
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.78
MVAN-METHYLVALINED,E,F1XQ70.78
MVAN-METHYLVALINEA1CYA0.78
MVAN-METHYLVALINEA,B,D1MF80.78
MVAN-METHYLVALINEA,B1A7Z0.78
MVAN-METHYLVALINEA1DSC0.78
MVAN-METHYLVALINET,U,V2POY0.78
MVAN-METHYLVALINEA2D550.78
MVAN-METHYLVALINEC1BCK0.78
MVAN-METHYLVALINEC1CWI0.78
MVAN-METHYLVALINEC,D1QNH0.78
MVAN-METHYLVALINEA1VS20.78
0AAmethyl L-valinateI1HEF0.77
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.78
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.81
BAA(TERT-BUTYLOXYCARBONYL)-ALANYL-
ALANYL-AMINE
A1ELG0.7
MLLMETHYL L-LEUCINATEC,F,M,N2IAE0.7
VMEMETHYL L-VALINATEA,B,C2JE40.77
VMEMETHYL L-VALINATEA,B,C2J9J0.77
VMEMETHYL L-VALINATEA,B,C7HVP0.77
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.7
AN0N-ACETYL-L-NORVALINEA1ZQ80.7
IMLN-METHYL-ISOLEUCINEC1CWM0.72
CXMN-CARBOXYMETHIONINEA,B1DNA0.71
CXMN-CARBOXYMETHIONINEA,B1JTU0.71
CXMN-CARBOXYMETHIONINEA,B1F4F0.71
CXMN-CARBOXYMETHIONINEA,B3BHL0.71
CXMN-CARBOXYMETHIONINEA,B2G8M0.71
CXMN-CARBOXYMETHIONINEA,C1S3T0.71
CXMN-CARBOXYMETHIONINEA2FTN0.71
CXMN-CARBOXYMETHIONINEA1AJM0.71
CXMN-CARBOXYMETHIONINEA1EV80.71
CXMN-CARBOXYMETHIONINEA,B2G8O0.71
CXMN-CARBOXYMETHIONINEA1EV50.71
CXMN-CARBOXYMETHIONINEA,B1JG00.71
CXMN-CARBOXYMETHIONINEA1FFL0.71
CXMN-CARBOXYMETHIONINEA1BJG0.71
CXMN-CARBOXYMETHIONINEA,B1TLS0.71
CXMN-CARBOXYMETHIONINEA,B1KCE0.71
CXMN-CARBOXYMETHIONINEA,B1NCE0.71
CXMN-CARBOXYMETHIONINEA1TSN0.71
CXMN-CARBOXYMETHIONINEA1F4B0.71
CXMN-CARBOXYMETHIONINEA,B1F4G0.71
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1KZJ0.71
CXMN-CARBOXYMETHIONINEA3B9H0.71
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1NKZ0.71
CXMN-CARBOXYMETHIONINEA3BHR0.71
CXMN-CARBOXYMETHIONINEA,B1KZI0.71
CXMN-CARBOXYMETHIONINEA1EVG0.71
CXMN-CARBOXYMETHIONINEA,B1F4C0.71
CXMN-CARBOXYMETHIONINEA,B1FWM0.71
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,R,S
2FKW0.71
CXMN-CARBOXYMETHIONINEA1EVF0.71
CXMN-CARBOXYMETHIONINEA,B1F4D0.71
CXMN-CARBOXYMETHIONINEA,B1JUT0.71
CXMN-CARBOXYMETHIONINEA,B,C,D2A9W0.71
CXMN-CARBOXYMETHIONINEX2FTO0.71
CXMN-CARBOXYMETHIONINEA,B1AIQ0.71
CXMN-CARBOXYMETHIONINEA1QQQ0.71
CXMN-CARBOXYMETHIONINEA,B1JTQ0.71
CXMN-CARBOXYMETHIONINEA,B1BQ10.71
CXMN-CARBOXYMETHIONINEA,C1UBP0.71
CXMN-CARBOXYMETHIONINEA3BFI0.71
CXMN-CARBOXYMETHIONINEA,B2G8X0.71
CXMN-CARBOXYMETHIONINEA,B2VF00.71
CXMN-CARBOXYMETHIONINEA,B1ZPR0.71
CXMN-CARBOXYMETHIONINEA3BGX0.71
CXMN-CARBOXYMETHIONINEA1TYS0.71
CXMN-CARBOXYMETHIONINEA2FTQ0.71
CXMN-CARBOXYMETHIONINEA1F4E0.71
CXMN-CARBOXYMETHIONINEA,C1IE70.71