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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02358604

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
CPC2-METHYL-1-METHYLAMINO-CYCLOPROPANE CARBOXYLIC ACIDC,D193D0.73
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.79
NLGN-ACETYL-L-GLUTAMATEA1OH90.7
NLGN-ACETYL-L-GLUTAMATEA1OHA0.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.7
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.7
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.7
NLGN-ACETYL-L-GLUTAMATEA3B8G0.7
NLGN-ACETYL-L-GLUTAMATEA1GS50.7
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.7
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
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.72
DVAD-VALINEA,B,C,D1C4D0.72
DVAD-VALINEA,B,C,D3BOG0.72
DVAD-VALINEA,B,C,D1GMK0.72
DVAD-VALINEA209D0.72
DVAD-VALINEA,B1TKQ0.72
DVAD-VALINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.72
DVAD-VALINEA,B1MIC0.72
DVAD-VALINEA,B1NRU0.72
DVAD-VALINEA1DSD0.72
DVAD-VALINEB1L1V0.72
DVAD-VALINEA,B1JNO0.72
DVAD-VALINEA,B1NRM0.72
DVAD-VALINEA,B1NT50.72
DVAD-VALINEA2JUE0.72
DVAD-VALINEA,B,C,D1AV20.72
DVAD-VALINEA,B2FCN0.72
DVAD-VALINEA,B1A7Z0.72
DVAD-VALINEA,B1AL40.72
DVAD-VALINEA,B1NG80.72
DVAD-VALINEA2D550.72
DVAD-VALINEA1DSC0.72
DVAD-VALINEA,B1ALX0.72
DVAD-VALINEA,B1JO40.72
DVAD-VALINEA,B1MAG0.72
DVAD-VALINEA,B1NT60.72
DVAD-VALINEA,B2Q330.72
DVAD-VALINEA,B1JO30.72
DVAD-VALINEC,D1MNV0.72
DVAD-VALINEA,B1KQE0.72
DVAD-VALINEA,B,C,D1W5U0.72
DVAD-VALINEA,B,C,D2IZQ0.72
DVAD-VALINEA,B,C,D,E,F1UNM0.72
DVAD-VALINEA,C,D1S4V0.72
DVAD-VALINEA,B1OVF0.72
DVAD-VALINEA,L1ZEA0.72
DVAD-VALINEA,B1ALZ0.72
DVAD-VALINEA,B,C1A7Y0.72
DVAD-VALINEA,B173D0.72
DVAD-VALINEA,B1BDW0.72
DVAD-VALINEA,B1FJA0.72
DVAD-VALINEA1BFW0.72
DVAD-VALINEA,B,C,D1I3W0.72
DVAD-VALINEA316D0.72
DVAD-VALINEA,B,C1QFI0.72
DVAD-VALINEA,B1GRM0.72
MAAN-METHYLALANINEA,B1A7Z0.72
MAAN-METHYLALANINEA,B2VSL0.72
MAAN-METHYLALANINEC1CWI0.72
MAAN-METHYLALANINEC,F,G,H3DW80.72
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYL0.72
MAAN-METHYLALANINED1D5X0.72
MAAN-METHYLALANINEC1PYW0.72
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYM0.72
MAAN-METHYLALANINEC,I2IE30.72
MAAN-METHYLALANINEC,F,X,Y2NPP0.72
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.71
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.71
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
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.73
AMEN-ACETYLMETHIONINEA,B2J4Y0.73
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.71
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
VLL(2S)-2,3-DIAMINOBUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.7
DIVD-ISOVALINEA1IH90.71
DIVD-ISOVALINEA1DLZ0.71
DIVD-ISOVALINEA1OB40.71
DIVD-ISOVALINEA,B1JOH0.71
DIVD-ISOVALINEA1EE70.71
DIVD-ISOVALINEA,B1OB60.71
DIVD-ISOVALINEA1GQ00.71
DIVD-ISOVALINEA1OB70.71
DIVD-ISOVALINEA1R9U0.71
IMLN-METHYL-ISOLEUCINEC1CWM0.73
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.71
THCN-METHYLCARBONYLTHREONINEB2HR00.71
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.71
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.71
MVAN-METHYLVALINEA209D0.8
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.8
MVAN-METHYLVALINEC1CWH0.8
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
1UNJ0.8
MVAN-METHYLVALINEA1DSD0.8
MVAN-METHYLVALINEB1L1V0.8
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.8
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.8
MVAN-METHYLVALINEC1CWO0.8
MVAN-METHYLVALINEC1CWL0.8
MVAN-METHYLVALINEB1MIK0.8
MVAN-METHYLVALINEA1CSA0.8
MVAN-METHYLVALINEC1CWM0.8
MVAN-METHYLVALINEA1PFE0.8
MVAN-METHYLVALINEA,B,D,E,F,H1M630.8
MVAN-METHYLVALINEC1CWC0.8
MVAN-METHYLVALINEB,D,F,H2RMC0.8
MVAN-METHYLVALINEC1CWK0.8
MVAN-METHYLVALINEC1CYN0.8
MVAN-METHYLVALINEC,D1MNV0.8
MVAN-METHYLVALINEC,D2OJU0.8
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.8
MVAN-METHYLVALINEA1CYB0.8
MVAN-METHYLVALINED1QNG0.8
MVAN-METHYLVALINEA,C,E,G2ADW0.8
MVAN-METHYLVALINEC1CWB0.8
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.8
MVAN-METHYLVALINEA,B1OVF0.8
MVAN-METHYLVALINEA,B185D0.8
MVAN-METHYLVALINEA1XVK0.8
MVAN-METHYLVALINEA,C1XVR0.8
MVAN-METHYLVALINEA,B173D0.8
MVAN-METHYLVALINEA,B1FJA0.8
MVAN-METHYLVALINEB3CYS0.8
MVAN-METHYLVALINEA,B,C1A7Y0.8
MVAN-METHYLVALINEA,B,C1L5G0.8
MVAN-METHYLVALINEA,B,C,D1I3W0.8
MVAN-METHYLVALINEA316D0.8
MVAN-METHYLVALINEA1XVN0.8
MVAN-METHYLVALINEC1IKF0.8
MVAN-METHYLVALINEA,M,N2Z6W0.8
MVAN-METHYLVALINEA,B,C1QFI0.8
MVAN-METHYLVALINEA,B3GO30.8
MVAN-METHYLVALINEC1CWA0.8
MVAN-METHYLVALINEC1CWF0.8
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.8
MVAN-METHYLVALINED,E,F1XQ70.8
MVAN-METHYLVALINEA1CYA0.8
MVAN-METHYLVALINEA,B,D1MF80.8
MVAN-METHYLVALINEA,B1A7Z0.8
MVAN-METHYLVALINEA1DSC0.8
MVAN-METHYLVALINET,U,V2POY0.8
MVAN-METHYLVALINEA2D550.8
MVAN-METHYLVALINEC1BCK0.8
MVAN-METHYLVALINEC1CWI0.8
MVAN-METHYLVALINEC,D1QNH0.8
MVAN-METHYLVALINEA1VS20.8
VDL(2R,3R)-2,3-DIAMINOBUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.7
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.78
AN0N-ACETYL-L-NORVALINEA1ZQ80.78
ORQN~5~-ACETYL-L-ORNITHINEP,Q2FX90.71
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.75
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.71