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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011944

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1ALALLANTOATE IONA,B,D,E,F,G,H2YZC0.7
1ALALLANTOATE IONA,B1Z2L0.7
AACACETYLAMINO-ACETIC ACIDA,B1NG30.83
AACACETYLAMINO-ACETIC ACIDA1QD80.83
SARSARCOSINEA,B173D0.89
SARSARCOSINEA,B1FJA0.89
SARSARCOSINEB3CYS0.89
SARSARCOSINEA,B,C1A7Y0.89
SARSARCOSINEA,B,C,D1I3W0.89
SARSARCOSINEA316D0.89
SARSARCOSINEC1IKF0.89
SARSARCOSINEA,M,N2Z6W0.89
SARSARCOSINEA,B,C1QFI0.89
SARSARCOSINEC1CWA0.89
SARSARCOSINEC1CWF0.89
SARSARCOSINEB,D,F,H,J,L,
N,P
1C5F0.89
SARSARCOSINEC1CWO0.89
SARSARCOSINED,E,F1XQ70.89
SARSARCOSINEC1CWL0.89
SARSARCOSINEA1CYA0.89
SARSARCOSINEA,B,D1MF80.89
SARSARCOSINEA,B1A7Z0.89
SARSARCOSINEB1MIK0.89
SARSARCOSINEA1CSA0.89
SARSARCOSINEC1CWM0.89
SARSARCOSINEA1DSC0.89
SARSARCOSINET,U,V2POY0.89
SARSARCOSINEA2D550.89
SARSARCOSINEC1BCK0.89
SARSARCOSINEA,B,D,E,F,H1M630.89
SARSARCOSINEC1CWC0.89
SARSARCOSINEC,D1QNH0.89
SARSARCOSINEB,D,F,H2RMC0.89
SARSARCOSINEC1CYN0.89
SARSARCOSINEC,D1MNV0.89
SARSARCOSINEC,D2OJU0.89
SARSARCOSINEB,D,F,H,J,L,
N,P,R,T
2RMA0.89
SARSARCOSINEA1CYB0.89
SARSARCOSINED1QNG0.89
SARSARCOSINEC1CWB0.89
SARSARCOSINEA,B,C,D,E,F1UNM0.89
SARSARCOSINEA,B1OVF0.89
SARSARCOSINEA209D0.89
SARSARCOSINEA,B,C,D,E,F,
G,H
3BO70.89
SARSARCOSINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.89
SARSARCOSINEA1DSD0.89
SARSARCOSINEB1L1V0.89
SARSARCOSINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.89
SARSARCOSINEB,D,F,H,J,L,
N,P,R,T
2RMB0.89
BCNBICINEA,B,C,D2V8H0.77
BCNBICINEA1QUS0.77
BCNBICINEA1LTM0.77
BCNBICINEA2JC50.77
BCNBICINEA,B,C,D1V0J0.77
BCNBICINEA1QDR0.77
BCNBICINEA1KI00.77
BCNBICINEY,Z1KMI0.77
BCNBICINEA,B,C2OV50.77
BCNBICINEA2A810.77
BCNBICINEA,B,C,D2V8G0.77
BCNBICINEA,B3HWR0.77
BCNBICINEA2R6S0.77
BCNBICINEA,B2R4J0.77
GPJGLYPHOSATEA,B,C,D1RF60.78
GPJGLYPHOSATEA1G6S0.78
GPJGLYPHOSATEA2AAY0.78
GPJGLYPHOSATEA2GGA0.78
GPJGLYPHOSATEA2QFT0.78
GPJGLYPHOSATEA2QFU0.78
GPJGLYPHOSATEA2GGD0.78
HAD(CARBOXYHYDROXYAMINO)ETHANOIC ACIDA1KKB0.7
HAD(CARBOXYHYDROXYAMINO)ETHANOIC ACIDA1GIM0.7
HAD(CARBOXYHYDROXYAMINO)ETHANOIC ACIDA1GIN0.7
HAD(CARBOXYHYDROXYAMINO)ETHANOIC ACIDA1KSZ0.7
HAD(CARBOXYHYDROXYAMINO)ETHANOIC ACIDA1NHT0.7
HAD(CARBOXYHYDROXYAMINO)ETHANOIC ACIDA1KKF0.7
HAD(CARBOXYHYDROXYAMINO)ETHANOIC ACIDA2GCQ0.7
MHA(CARBAMOYLMETHYL-CARBOXYMETHYL-
AMINO)-ACETIC ACID
A,B2IXX0.76
MHA(CARBAMOYLMETHYL-CARBOXYMETHYL-
AMINO)-ACETIC ACID
A,B1IX10.76
NMGGUANIDINO ACETATEA1XCJ0.72
AYAN-ACETYLALANINEA1D0W0.72
AYAN-ACETYLALANINEA1AH40.72
AYAN-ACETYLALANINEA,B1VBP0.72
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.72
AYAN-ACETYLALANINEA,B,C,D1OUW0.72
AYAN-ACETYLALANINEA1AH30.72
AYAN-ACETYLALANINEA1EKO0.72
AYAN-ACETYLALANINEB,D,F,H2V4I0.72
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.72
AYAN-ACETYLALANINEA,B,C,D1J4U0.72
NTANITRILOTRIACETIC ACIDA1GVC0.83
NTANITRILOTRIACETIC ACIDA1NFT0.83
IPGN-ISOPROPYL GLYCINEC,D2SEM0.83
NXAN-CARBOXYALANINEA2IUX0.73
NXAN-CARBOXYALANINEA1O8A0.73
OGAN-OXALYOLGLYCINEA,B,C,D2OQ60.85
OGAN-OXALYOLGLYCINEA2RDS0.85
OGAN-OXALYOLGLYCINEA1H2M0.85
OGAN-OXALYOLGLYCINEA2QRL0.85
OGAN-OXALYOLGLYCINEA,B,C,D2OX00.85
OGAN-OXALYOLGLYCINEA2RDR0.85
OGAN-OXALYOLGLYCINEA,B,C,D2OS20.85
OGAN-OXALYOLGLYCINEA,B,I,J2PXJ0.85
OGAN-OXALYOLGLYCINEA,B,F,G2Q8E0.85
OGAN-OXALYOLGLYCINEA,B,I,J2P5B0.85
OGAN-OXALYOLGLYCINEA1H2K0.85
OGAN-OXALYOLGLYCINEA,B,C,D2OT70.85
OGAN-OXALYOLGLYCINEA,B2OQ70.85
IOM(DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACIDA,B1U6R0.76
IOM(DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACIDA1RL90.76
IOM(DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACIDA,B1VRP0.76
MSA(2-S-METHYL) SARCOSINEC1CWK0.73
MSA(2-S-METHYL) SARCOSINEC1CWJ0.73
EDT{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-
CARBOXYMETHYL-AMINO}-ACETIC ACID
A2AXN0.71
EDT{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-
CARBOXYMETHYL-AMINO}-ACETIC ACID
A1NNF0.71
EDT{[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-
CARBOXYMETHYL-AMINO}-ACETIC ACID
A,B1ZLQ0.71
BETTRIMETHYL GLYCINEA1RCC0.76
BETTRIMETHYL GLYCINEA,B3DSB0.76
BETTRIMETHYL GLYCINEA1RCI0.76
BETTRIMETHYL GLYCINEA1SW20.76
BETTRIMETHYL GLYCINEA1RCE0.76
BETTRIMETHYL GLYCINEA1R9L0.76
BETTRIMETHYL GLYCINEA1RCD0.76
BETTRIMETHYL GLYCINEA,B,C2WIT0.76
BETTRIMETHYL GLYCINEA2B4L0.76
BETTRIMETHYL GLYCINEA1RCG0.76
BETTRIMETHYL GLYCINEA,B,C,D1WWJ0.76
DMGN,N-DIMETHYLGLYCINEA,B,C,D1VRQ0.76
DMGN,N-DIMETHYLGLYCINEA,B,C,D1X310.76
DMGN,N-DIMETHYLGLYCINEA,B,C1XKP0.76
DMGN,N-DIMETHYLGLYCINEA,B1EL50.76
GPFN-(phosphonomethyl)glycineA3FJZ0.78
GPFN-(phosphonomethyl)glycineA3FK10.78
CL5N-(3-OXOPROPYL)GLYCINEA2IOT0.75
NMCN-CYCLOPROPYLMETHYL GLYCINEC,D3SEM0.77
OXCOXONIC ACIDA,B2E6F0.7
OXCOXONIC ACIDA1R4U0.7
MAAN-METHYLALANINEA,B1A7Z0.76
MAAN-METHYLALANINEA,B2VSL0.76
MAAN-METHYLALANINEC1CWI0.76
MAAN-METHYLALANINEC,F,G,H3DW80.76
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYL0.76
MAAN-METHYLALANINED1D5X0.76
MAAN-METHYLALANINEC1PYW0.76
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYM0.76
MAAN-METHYLALANINEC,I2IE30.76
MAAN-METHYLALANINEC,F,X,Y2NPP0.76