seq
stringlengths 24
4.72k
| smiles
stringlengths 4
443
| affinity_uM
float32 0
400k
| neg_log10_affinity_M
float32 0.4
15.2
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float32 -3.14
4.69
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sequence | contacts_8A
sequence | contacts_11A
sequence | contacts_15A
sequence |
---|---|---|---|---|---|---|---|---|
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DIVMTQSPSSLAVSAGEKVTMSCKSSQSLLNSRTRKNYLAWYQQKPGQSPKLLIYWASTRESGVPDRFTGSGSGTDFTLTISSVQAEDLAVYYCKQSYNLRTFGGGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKSIAVKWKIDGSERQNGVLNSWTDQDKKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEEVKLVESGGGLVQSGGSLRLSCATSGFTFTDYYMSWVRQPPGKALEWLAFIRNKAKGYTTEYSSSVKGRFTISRDNSQSFLYLQMNTLRAEDSATYYCARDINPGSDGYYDALDYWGQGTSVTVSRAKTTPPSVYPLAPGSAAQNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPR | O=C(O)C1(O)CC(O)C(O)C(C(O)CO)O1 | 3 | 5.522879 | -0.434023 | [
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13849,
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13852,
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50186,
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51217,
51219
] | [
1043,
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22017,
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