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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03033632

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NMCN-CYCLOPROPYLMETHYL GLYCINEC,D3SEM0.8
CPC2-METHYL-1-METHYLAMINO-CYCLOPROPANE CARBOXYLIC ACIDC,D193D0.74
DNGN-FORMYL-D-NORLEUCINEA,B1S4A0.7
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.72
THCN-METHYLCARBONYLTHREONINEB2HR00.72
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.72
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.72
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.73
MAAN-METHYLALANINEA,B1A7Z0.73
MAAN-METHYLALANINEA,B2VSL0.73
MAAN-METHYLALANINEC1CWI0.73
MAAN-METHYLALANINEC,F,G,H3DW80.73
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYL0.73
MAAN-METHYLALANINED1D5X0.73
MAAN-METHYLALANINEC1PYW0.73
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYM0.73
MAAN-METHYLALANINEC,I2IE30.73
MAAN-METHYLALANINEC,F,X,Y2NPP0.73
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.82
AN0N-ACETYL-L-NORVALINEA1ZQ80.82
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.76
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.74
NLGN-ACETYL-L-GLUTAMATEA1OH90.74
NLGN-ACETYL-L-GLUTAMATEA1OHA0.74
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.74
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.74
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.74
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.74
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.74
NLGN-ACETYL-L-GLUTAMATEA3B8G0.74
NLGN-ACETYL-L-GLUTAMATEA1GS50.74
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.74
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.8
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.71
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.71
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.73
AMEN-ACETYLMETHIONINEA,B2J4Y0.73
MLEN-METHYLLEUCINEA,D2J9A0.77
MLEN-METHYLLEUCINEC1IKF0.77
MLEN-METHYLLEUCINEA,M,N2Z6W0.77
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.77
MLEN-METHYLLEUCINED,E,F1XQ70.77
MLEN-METHYLLEUCINEC1CWA0.77
MLEN-METHYLLEUCINEC1CWF0.77
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.77
MLEN-METHYLLEUCINEB3CYS0.77
MLEN-METHYLLEUCINEC1CWH0.77
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.77
MLEN-METHYLLEUCINEC1CYN0.77
MLEN-METHYLLEUCINEA1LV90.77
MLEN-METHYLLEUCINEC,D2OJU0.77
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.77
MLEN-METHYLLEUCINEA1IKM0.77
MLEN-METHYLLEUCINEC1CWK0.77
MLEN-METHYLLEUCINEA,B2HG80.77
MLEN-METHYLLEUCINEC1CWB0.77
MLEN-METHYLLEUCINEC1CWJ0.77
MLEN-METHYLLEUCINEA1CYB0.77
MLEN-METHYLLEUCINED1QNG0.77
MLEN-METHYLLEUCINEB1MIK0.77
MLEN-METHYLLEUCINEA1CSA0.77
MLEN-METHYLLEUCINEC1CWL0.77
MLEN-METHYLLEUCINEA1CYA0.77
MLEN-METHYLLEUCINEA,B,D1MF80.77
MLEN-METHYLLEUCINEC1BCK0.77
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.77
MLEN-METHYLLEUCINEC1CWC0.77
MLEN-METHYLLEUCINEC1CWI0.77
MLEN-METHYLLEUCINEC,D1QNH0.77
MLEN-METHYLLEUCINEB,D,F,H2RMC0.77
MLEN-METHYLLEUCINEC1CWM0.77
MLEN-METHYLLEUCINET,U,V2POY0.77
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.77
MLEN-METHYLLEUCINEC1CWO0.77
MLEN-METHYLLEUCINEA1IKL0.77
ORQN~5~-ACETYL-L-ORNITHINEP,Q2FX90.72
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F,
G,H
2J580.74
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F2J2P0.74
SC2N-ACETYL-L-CYSTEINEB,C,D,E,F2J1G0.74
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.75
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.71
NXAN-CARBOXYALANINEA2IUX0.74
NXAN-CARBOXYALANINEA1O8A0.74
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.72
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.72
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.72
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.72
SACN-ACETYL-SERINEA1R4U0.72
SACN-ACETYL-SERINEA,B,C,D1WS30.72
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1XY30.72
SACN-ACETYL-SERINEA,B1EVU0.72
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1R560.72
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.72
SACN-ACETYL-SERINEA1WRR0.72
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.72
SACN-ACETYL-SERINEA,B3CVQ0.72
SACN-ACETYL-SERINEA1B0B0.72
SACN-ACETYL-SERINEA1XT40.72
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.72
SACN-ACETYL-SERINEA2FXL0.72
SACN-ACETYL-SERINEA1R4S0.72
SACN-ACETYL-SERINEA,B,C,D1WS20.72
SACN-ACETYL-SERINEA,B,C,D2AUC0.72
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.72
SACN-ACETYL-SERINEA1R510.72
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.72
SACN-ACETYL-SERINEA,B,C,D1XXJ0.72
SACN-ACETYL-SERINET2QAC0.72
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.72
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.74
AACACETYLAMINO-ACETIC ACIDA,B1NG30.81
AACACETYLAMINO-ACETIC ACIDA1QD80.81
OGAN-OXALYOLGLYCINEA,B,C,D2OQ60.73
OGAN-OXALYOLGLYCINEA2RDS0.73
OGAN-OXALYOLGLYCINEA1H2M0.73
OGAN-OXALYOLGLYCINEA2QRL0.73
OGAN-OXALYOLGLYCINEA,B,C,D2OX00.73
OGAN-OXALYOLGLYCINEA2RDR0.73
OGAN-OXALYOLGLYCINEA,B,C,D2OS20.73
OGAN-OXALYOLGLYCINEA,B,I,J2PXJ0.73
OGAN-OXALYOLGLYCINEA,B,F,G2Q8E0.73
OGAN-OXALYOLGLYCINEA,B,I,J2P5B0.73
OGAN-OXALYOLGLYCINEA1H2K0.73
OGAN-OXALYOLGLYCINEA,B,C,D2OT70.73
OGAN-OXALYOLGLYCINEA,B2OQ70.73
AYAN-ACETYLALANINEA1D0W0.82
AYAN-ACETYLALANINEA1AH40.82
AYAN-ACETYLALANINEA,B1VBP0.82
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.82
AYAN-ACETYLALANINEA,B,C,D1OUW0.82
AYAN-ACETYLALANINEA1AH30.82
AYAN-ACETYLALANINEA1EKO0.82
AYAN-ACETYLALANINEB,D,F,H2V4I0.82
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.82
AYAN-ACETYLALANINEA,B,C,D1J4U0.82
CL5N-(3-OXOPROPYL)GLYCINEA2IOT0.72
140N-PALMITOYLGLYCINEA,B1JPZ0.75
140N-PALMITOYLGLYCINEA,B1ZOA0.75
140N-PALMITOYLGLYCINEA,B3CBD0.75
MVAN-METHYLVALINEA209D0.81
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.81
MVAN-METHYLVALINEC1CWH0.81
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
1UNJ0.81
MVAN-METHYLVALINEA1DSD0.81
MVAN-METHYLVALINEB1L1V0.81
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.81
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.81
MVAN-METHYLVALINEC1CWO0.81
MVAN-METHYLVALINEC1CWL0.81
MVAN-METHYLVALINEB1MIK0.81
MVAN-METHYLVALINEA1CSA0.81
MVAN-METHYLVALINEC1CWM0.81
MVAN-METHYLVALINEA1PFE0.81
MVAN-METHYLVALINEA,B,D,E,F,H1M630.81
MVAN-METHYLVALINEC1CWC0.81
MVAN-METHYLVALINEB,D,F,H2RMC0.81
MVAN-METHYLVALINEC1CWK0.81
MVAN-METHYLVALINEC1CYN0.81
MVAN-METHYLVALINEC,D1MNV0.81
MVAN-METHYLVALINEC,D2OJU0.81
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.81
MVAN-METHYLVALINEA1CYB0.81
MVAN-METHYLVALINED1QNG0.81
MVAN-METHYLVALINEA,C,E,G2ADW0.81
MVAN-METHYLVALINEC1CWB0.81
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.81
MVAN-METHYLVALINEA,B1OVF0.81
MVAN-METHYLVALINEA,B185D0.81
MVAN-METHYLVALINEA1XVK0.81
MVAN-METHYLVALINEA,C1XVR0.81
MVAN-METHYLVALINEA,B173D0.81
MVAN-METHYLVALINEA,B1FJA0.81
MVAN-METHYLVALINEB3CYS0.81
MVAN-METHYLVALINEA,B,C1A7Y0.81
MVAN-METHYLVALINEA,B,C1L5G0.81
MVAN-METHYLVALINEA,B,C,D1I3W0.81
MVAN-METHYLVALINEA316D0.81
MVAN-METHYLVALINEA1XVN0.81
MVAN-METHYLVALINEC1IKF0.81
MVAN-METHYLVALINEA,M,N2Z6W0.81
MVAN-METHYLVALINEA,B,C1QFI0.81
MVAN-METHYLVALINEA,B3GO30.81
MVAN-METHYLVALINEC1CWA0.81
MVAN-METHYLVALINEC1CWF0.81
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.81
MVAN-METHYLVALINED,E,F1XQ70.81
MVAN-METHYLVALINEA1CYA0.81
MVAN-METHYLVALINEA,B,D1MF80.81
MVAN-METHYLVALINEA,B1A7Z0.81
MVAN-METHYLVALINEA1DSC0.81
MVAN-METHYLVALINET,U,V2POY0.81
MVAN-METHYLVALINEA2D550.81
MVAN-METHYLVALINEC1BCK0.81
MVAN-METHYLVALINEC1CWI0.81
MVAN-METHYLVALINEC,D1QNH0.81
MVAN-METHYLVALINEA1VS20.81
IMLN-METHYL-ISOLEUCINEC1CWM0.77
IPGN-ISOPROPYL GLYCINEC,D2SEM0.74